2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide

C20H27ClN4O2S — CID 118321291

IUPAC2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide
SMILESCCc1sc(NC(=O)N(C)c2ccc(Cl)cc2)c(C(N)=O)c1CCN(C)CC
InChIInChI=1S/C20H27ClN4O2S/c1-5-16-15(11-12-24(3)6-2)17(18(22)26)19(28-16)23-20(27)25(4)14-9-7-13(21)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyULSIARGODNRQGM-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.23
Rot. Bonds8

About 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide

2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide (PubChem CID 118321291) has the molecular formula C20H27ClN4O2S and a molecular weight of 422.98 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide
PubChem CID118321291
Molecular FormulaC20H27ClN4O2S
Molecular Weight422.98 g/mol
Exact Mass422.15
IUPAC Name2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide
SMILESCCc1sc(NC(=O)N(C)c2ccc(Cl)cc2)c(C(N)=O)c1CCN(C)CC
InChIInChI=1S/C20H27ClN4O2S/c1-5-16-15(11-12-24(3)6-2)17(18(22)26)19(28-16)23-20(27)25(4)14-9-7-13(21)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyULSIARGODNRQGM-UHFFFAOYSA-N
XLogP4.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 118307316
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168969
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9167371
N-(4-chlorophenyl)-N-methyl-3-oxopentanamide
CID 59675998
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 1370889
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 1222183

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide?
The IUPAC name of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide (CID 118321291) is 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide is CCc1sc(NC(=O)N(C)c2ccc(Cl)cc2)c(C(N)=O)c1CCN(C)CC.
What is the InChIKey of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide?
The InChIKey is ULSIARGODNRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2S/c1-5-16-15(11-12-24(3)6-2)17(18(22)26)19(28-16)23-20(27)25(4)14-9-7-13(21)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H2,22,26)(H,23,27).
What are the key properties of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide?
2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide has a molecular weight of 422.98 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 118321291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).