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

C17H18N2O3S — CID 17470169

IUPACN-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2O3S/c1-2-18-17(22)12-5-3-6-13(11-12)19-16(21)9-8-14(20)15-7-4-10-23-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,19,21)
InChIKeyKMUIRLJKDDACHB-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.10
Rot. Bonds7

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

N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide (PubChem CID 17470169) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
PubChem CID17470169
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2O3S/c1-2-18-17(22)12-5-3-6-13(11-12)19-16(21)9-8-14(20)15-7-4-10-23-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,19,21)
InChIKeyKMUIRLJKDDACHB-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
3-acetamido-N-ethylbenzamide
CID 17230670
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 31515825
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
The IUPAC name of N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide (CID 17470169) is N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
The canonical SMILES for N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide is CCNC(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
The InChIKey is KMUIRLJKDDACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-18-17(22)12-5-3-6-13(11-12)19-16(21)9-8-14(20)15-7-4-10-23-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide has a molecular weight of 330.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide is sourced from PubChem (CID 17470169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).