3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide

C16H15ClN2O4S — CID 55964273

IUPAC3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2O4S/c1-23-12-4-2-9(16(18)22)8-10(12)19-15(21)7-3-11(20)13-5-6-14(17)24-13/h2,4-6,8H,3,7H2,1H3,(H2,18,22)(H,19,21)
InChIKeyKQOBCCPWZHZBGE-UHFFFAOYSA-N
MW366.83 g/mol
LogP3.11
Rot. Bonds7

About 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide

3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide (PubChem CID 55964273) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
PubChem CID55964273
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2O4S/c1-23-12-4-2-9(16(18)22)8-10(12)19-15(21)7-3-11(20)13-5-6-14(17)24-13/h2,4-6,8H,3,7H2,1H3,(H2,18,22)(H,19,21)
InChIKeyKQOBCCPWZHZBGE-UHFFFAOYSA-N
XLogP3.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
methyl 4-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 26583308
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146845
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide (CID 55964273) is 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide?
The InChIKey is KQOBCCPWZHZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-23-12-4-2-9(16(18)22)8-10(12)19-15(21)7-3-11(20)13-5-6-14(17)24-13/h2,4-6,8H,3,7H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide?
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide has a molecular weight of 366.83 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 55964273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).