3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide

C14H14ClN3O2S — CID 66387930

IUPAC3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
SMILESCC(=O)Nc1ccsc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-8(19)18-11-4-5-21-13(11)7-17-12-6-9(14(16)20)2-3-10(12)15/h2-6,17H,7H2,1H3,(H2,16,20)(H,18,19)
InChIKeyFSAIXLYMLAKPLB-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.07
Rot. Bonds5

About 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide

3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide (PubChem CID 66387930) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
PubChem CID66387930
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
SMILESCC(=O)Nc1ccsc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-8(19)18-11-4-5-21-13(11)7-17-12-6-9(14(16)20)2-3-10(12)15/h2-6,17H,7H2,1H3,(H2,16,20)(H,18,19)
InChIKeyFSAIXLYMLAKPLB-UHFFFAOYSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66386165
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384913
4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 113298001
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide?
The IUPAC name of 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide (CID 66387930) is 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide.
What is the SMILES notation for 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide?
The canonical SMILES for 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide is CC(=O)Nc1ccsc1CNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide?
The InChIKey is FSAIXLYMLAKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-8(19)18-11-4-5-21-13(11)7-17-12-6-9(14(16)20)2-3-10(12)15/h2-6,17H,7H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide?
3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide has a molecular weight of 323.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide is sourced from PubChem (CID 66387930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).