2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide

C22H22N2O2S — CID 140998444

IUPAC2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccccc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C22H22N2O2S/c1-15(2)19-13-18(21(26)23-14-16-9-5-3-6-10-16)22(27-19)24-20(25)17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRZMUGNRIXOUYEW-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.05
Rot. Bonds6

About 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide

2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 140998444) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide
PubChem CID140998444
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccccc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C22H22N2O2S/c1-15(2)19-13-18(21(26)23-14-16-9-5-3-6-10-16)22(27-19)24-20(25)17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRZMUGNRIXOUYEW-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(benzylcarbamoyl)-5-ethylthiophen-2-yl]carbamoyl]benzoate
CID 22133061
2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide
CID 73347970
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide (CID 140998444) is 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)NCc2ccccc2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is RZMUGNRIXOUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15(2)19-13-18(21(26)23-14-16-9-5-3-6-10-16)22(27-19)24-20(25)17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide?
2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 140998444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).