N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

C17H18ClNO3S — CID 2469868

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1Cl
InChIInChI=1S/C17H18ClNO3S/c1-10-8-13(11(2)23-10)15(20)5-7-17(21)19-12-4-6-16(22-3)14(18)9-12/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)
InChIKeyMXIDVLHQLJRDBC-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.63
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (PubChem CID 2469868) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
PubChem CID2469868
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1Cl
InChIInChI=1S/C17H18ClNO3S/c1-10-8-13(11(2)23-10)15(20)5-7-17(21)19-12-4-6-16(22-3)14(18)9-12/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)
InChIKeyMXIDVLHQLJRDBC-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 9413379
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3,5-dimethoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 17426438
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CID 2469868) is N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The InChIKey is MXIDVLHQLJRDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-10-8-13(11(2)23-10)15(20)5-7-17(21)19-12-4-6-16(22-3)14(18)9-12/h4,6,8-9H,5,7H2,1-3H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has a molecular weight of 351.86 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is sourced from PubChem (CID 2469868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).