N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide

C17H18N2O3S — CID 30858781

IUPACN-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-17(22)13-5-2-4-12(10-13)11-19-16(21)8-7-14(20)15-6-3-9-23-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNYDVLESNXWPPPO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.39
Rot. Bonds7

About N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide

N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide (PubChem CID 30858781) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
PubChem CID30858781
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-17(22)13-5-2-4-12(10-13)11-19-16(21)8-7-14(20)15-6-3-9-23-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNYDVLESNXWPPPO-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
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Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide (CID 30858781) is N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide?
The InChIKey is NYDVLESNXWPPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18-17(22)13-5-2-4-12(10-13)11-19-16(21)8-7-14(20)15-6-3-9-23-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide?
N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide is sourced from PubChem (CID 30858781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).