3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide

C16H17ClN2O2S — CID 34132033

IUPAC3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H17ClN2O2S/c1-3-19(10-14-7-8-15(17)22-14)16(21)12-5-4-6-13(9-12)18-11(2)20/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyKVIJSAHTDUQQCU-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.02
Rot. Bonds5

About 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide

3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide (PubChem CID 34132033) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
PubChem CID34132033
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H17ClN2O2S/c1-3-19(10-14-7-8-15(17)22-14)16(21)12-5-4-6-13(9-12)18-11(2)20/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyKVIJSAHTDUQQCU-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8694053
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 55698318
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide
CID 24655699
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27830091
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 9168070

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
The IUPAC name of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide (CID 34132033) is 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
The InChIKey is KVIJSAHTDUQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-3-19(10-14-7-8-15(17)22-14)16(21)12-5-4-6-13(9-12)18-11(2)20/h4-9H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide has a molecular weight of 336.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 34132033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).