4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid

C66H65Cl3F9N9O7S6 — CID 160730102

IUPAC4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid
SMILESCCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(CC)c1=O.CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C(F)(F)F)n(CC)c(=O)c1NC.CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)O.CCn1c(C(F)(F)F)cc(N)c(NC)c1=O
InChIInChI=1S/2C22H21ClF3N3O2S2.C13H11ClO2S2.C9H12F3N3O/c1-4-29-17(22(24,25)26)10-14(18(27-3)21(29)31)28-20(30)19-16(32-5-2)11-15(33-19)12-6-8-13(23)9-7-12;1-4-29-17(22(24,25)26)10-14(27)18(20(29)30)28(3)21(31)19-16(32-5-2)11-15(33-19)12-6-8-13(23)9-7-12;1-2-17-11-7-10(18-12(11)13(15)16)8-3-5-9(14)6-4-8;1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h6-11,27H,4-5H2,1-3H3,(H,28,30);6-11H,4-5,27H2,1-3H3;3-7H,2H2,1H3,(H,15,16);4,14H,3,13H2,1-2H3
InChIKeyRUFKOUPFCSTMAJ-UHFFFAOYSA-N
MW1566.04 g/mol
LogP19.30
Rot. Bonds19

About 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid

4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid (PubChem CID 160730102) has the molecular formula C66H65Cl3F9N9O7S6 and a molecular weight of 1566.04 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid
PubChem CID160730102
Molecular FormulaC66H65Cl3F9N9O7S6
Molecular Weight1566.04 g/mol
Exact Mass1563.23
IUPAC Name4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid
SMILESCCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(CC)c1=O.CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C(F)(F)F)n(CC)c(=O)c1NC.CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)O.CCn1c(C(F)(F)F)cc(N)c(NC)c1=O
InChIInChI=1S/2C22H21ClF3N3O2S2.C13H11ClO2S2.C9H12F3N3O/c1-4-29-17(22(24,25)26)10-14(18(27-3)21(29)31)28-20(30)19-16(32-5-2)11-15(33-19)12-6-8-13(23)9-7-12;1-4-29-17(22(24,25)26)10-14(27)18(20(29)30)28(3)21(31)19-16(32-5-2)11-15(33-19)12-6-8-13(23)9-7-12;1-2-17-11-7-10(18-12(11)13(15)16)8-3-5-9(14)6-4-8;1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h6-11,27H,4-5H2,1-3H3,(H,28,30);6-11H,4-5,27H2,1-3H3;3-7H,2H2,1H3,(H,15,16);4,14H,3,13H2,1-2H3
InChIKeyRUFKOUPFCSTMAJ-UHFFFAOYSA-N
XLogP19.30
TPSA228.81 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001566.04
LogP ≤ 519.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid with MolForge

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Related Compounds

5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carbonyl chloride
CID 122640406
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
5-ethyl-2-[3-ethylsulfanyl-5-(4-methylphenyl)thiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134450548
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734505
N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide
CID 135366231
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
CID 83034927
5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
CID 173065142
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
3-[(2,6-difluorobenzoyl)amino]-5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid
CID 53470439
3-[(5-bromothiophene-2-carbonyl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53470428
3-ethylsulfanyl-5-iodothiophene-2-carboxylic acid
CID 122640400
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 16505741

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid (CID 160730102) is 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid is CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(CC)c1=O.CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C(F)(F)F)n(CC)c(=O)c1NC.CCSc1cc(-c2ccc(Cl)cc2)sc1C(=O)O.CCn1c(C(F)(F)F)cc(N)c(NC)c1=O.
What is the InChIKey of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid?
The InChIKey is RUFKOUPFCSTMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21ClF3N3O2S2.C13H11ClO2S2.C9H12F3N3O/c1-4-29-17(22(24,25)26)10-14(18(27-3)21(29)31)28-20(30)19-16(32-5-2)11-15(33-19)12-6-8-13(23)9-7-12;1-4-29-17(22(24,25)26)10-14(27)18(20(29)30)28(3)21(31)19-16(32-5-2)11-15(33-19)12-6-8-13(23)9-7-12;1-2-17-11-7-10(18-12(11)13(15)16)8-3-5-9(14)6-4-8;1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h6-11,27H,4-5H2,1-3H3,(H,28,30);6-11H,4-5,27H2,1-3H3;3-7H,2H2,1H3,(H,15,16);4,14H,3,13H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid?
4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid has a molecular weight of 1566.04 g/mol, XLogP of 19.30, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one;N-[4-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-(4-chlorophenyl)-3-ethylsulfanyl-N-methylthiophene-2-carboxamide;5-(4-chlorophenyl)-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylthiophene-2-carboxamide;5-(4-chlorophenyl)-3-ethylsulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 160730102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).