2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C63H51ClF9N15O12S6 — CID 173235959

IUPAC2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.NC(=O)Nc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(F)c(Cl)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(F)c(F)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2cccc(C(F)(F)F)c2)cc1C(N)=O
InChIInChI=1S/2C13H10F3N3O2S.C13H13N3O4S2.C12H9ClFN3O2S.C12H9F2N3O2S/c14-13(15,16)7-3-1-6(2-4-7)9-5-8(10(17)20)11(22-9)19-12(18)21;14-13(15,16)7-3-1-2-6(4-7)9-5-8(10(17)20)11(22-9)19-12(18)21;1-22(19,20)8-4-2-7(3-5-8)10-6-9(11(14)17)12(21-10)16-13(15)18;13-7-3-5(1-2-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19;13-7-2-1-5(3-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19/h2*1-5H,(H2,17,20)(H3,18,19,21);2-6H,1H3,(H2,14,17)(H3,15,16,18);2*1-4H,(H2,15,18)(H3,16,17,19)
InChIKeyAUWQWOAPJGIBSB-UHFFFAOYSA-N
MW1609.03 g/mol
LogP12.53
Rot. Bonds16

About 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 173235959) has the molecular formula C63H51ClF9N15O12S6 and a molecular weight of 1609.03 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID173235959
Molecular FormulaC63H51ClF9N15O12S6
Molecular Weight1609.03 g/mol
Exact Mass1607.17
IUPAC Name2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.NC(=O)Nc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(F)c(Cl)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(F)c(F)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2cccc(C(F)(F)F)c2)cc1C(N)=O
InChIInChI=1S/2C13H10F3N3O2S.C13H13N3O4S2.C12H9ClFN3O2S.C12H9F2N3O2S/c14-13(15,16)7-3-1-6(2-4-7)9-5-8(10(17)20)11(22-9)19-12(18)21;14-13(15,16)7-3-1-2-6(4-7)9-5-8(10(17)20)11(22-9)19-12(18)21;1-22(19,20)8-4-2-7(3-5-8)10-6-9(11(14)17)12(21-10)16-13(15)18;13-7-3-5(1-2-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19;13-7-2-1-5(3-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19/h2*1-5H,(H2,17,20)(H3,18,19,21);2-6H,1H3,(H2,14,17)(H3,15,16,18);2*1-4H,(H2,15,18)(H3,16,17,19)
InChIKeyAUWQWOAPJGIBSB-UHFFFAOYSA-N
XLogP12.53
TPSA525.19 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.03
LogP ≤ 512.53
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Analyze 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 173235959) is 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide is CS(=O)(=O)c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.NC(=O)Nc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(F)c(Cl)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccc(F)c(F)c2)cc1C(N)=O.NC(=O)Nc1sc(-c2cccc(C(F)(F)F)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is AUWQWOAPJGIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10F3N3O2S.C13H13N3O4S2.C12H9ClFN3O2S.C12H9F2N3O2S/c14-13(15,16)7-3-1-6(2-4-7)9-5-8(10(17)20)11(22-9)19-12(18)21;14-13(15,16)7-3-1-2-6(4-7)9-5-8(10(17)20)11(22-9)19-12(18)21;1-22(19,20)8-4-2-7(3-5-8)10-6-9(11(14)17)12(21-10)16-13(15)18;13-7-3-5(1-2-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19;13-7-2-1-5(3-8(7)14)9-4-6(10(15)18)11(20-9)17-12(16)19/h2*1-5H,(H2,17,20)(H3,18,19,21);2-6H,1H3,(H2,14,17)(H3,15,16,18);2*1-4H,(H2,15,18)(H3,16,17,19).
What are the key properties of 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 1609.03 g/mol, XLogP of 12.53, 16 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-difluorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methylsulfonylphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 173235959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).