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

C14H19ClN2O3S — CID 86976250

IUPAC2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)CCC(=O)c1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C14H19ClN2O3S/c1-3-8(2)13(14(16)20)17-12(19)7-4-9(18)10-5-6-11(15)21-10/h5-6,8,13H,3-4,7H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyZTQUTMWJMCUBEW-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.38
Rot. Bonds8

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

2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide (PubChem CID 86976250) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide
PubChem CID86976250
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)CCC(=O)c1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C14H19ClN2O3S/c1-3-8(2)13(14(16)20)17-12(19)7-4-9(18)10-5-6-11(15)21-10/h5-6,8,13H,3-4,7H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyZTQUTMWJMCUBEW-UHFFFAOYSA-N
XLogP2.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-methylpentanamide
CID 78773233
methyl (2S)-2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 2576698
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
methyl 3-methyl-2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]butanoate
CID 86977893
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
CID 51193161
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
methyl 3-(2-chlorophenyl)-3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]propanoate
CID 55430137
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide (CID 86976250) is 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)CCC(=O)c1ccc(Cl)s1)C(N)=O.
What is the InChIKey of 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide?
The InChIKey is ZTQUTMWJMCUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-3-8(2)13(14(16)20)17-12(19)7-4-9(18)10-5-6-11(15)21-10/h5-6,8,13H,3-4,7H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide?
2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide has a molecular weight of 330.84 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide is sourced from PubChem (CID 86976250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).