4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide

C14H14ClN3O2S — CID 11347887

IUPAC4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-2-3-12(19)17-11-5-4-9(8-10(11)15)13(20)18-14-16-6-7-21-14/h4-8H,2-3H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyOEHCWCKCPKJNDN-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.79
Rot. Bonds5

About 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide

4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11347887) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11347887
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-2-3-12(19)17-11-5-4-9(8-10(11)15)13(20)18-14-16-6-7-21-14/h4-8H,2-3H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyOEHCWCKCPKJNDN-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 87646961
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515980
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
3,5-dichloro-4-methoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361254
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide (CID 11347887) is 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1Cl.
What is the InChIKey of 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is OEHCWCKCPKJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-2-3-12(19)17-11-5-4-9(8-10(11)15)13(20)18-14-16-6-7-21-14/h4-8H,2-3H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide?
4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 323.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11347887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).