4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide

C16H17NO3S — CID 97240938

IUPAC4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17NO3S/c1-11(10-14(18)15-4-3-9-21-15)17-16(19)12-5-7-13(20-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyFMHXNPPJTJZZIP-LLVKDONJSA-N
MW303.38 g/mol
LogP3.15
Rot. Bonds6

About 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide

4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide (PubChem CID 97240938) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
PubChem CID97240938
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17NO3S/c1-11(10-14(18)15-4-3-9-21-15)17-16(19)12-5-7-13(20-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyFMHXNPPJTJZZIP-LLVKDONJSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
CID 84589934
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
CID 97330247
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807760
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
[1-(4-methoxyphenyl)-3-oxo-3-thiophen-2-ylpropyl]-methylcarbamic acid
CID 91392948
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide (CID 97240938) is 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide is COc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
The InChIKey is FMHXNPPJTJZZIP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11(10-14(18)15-4-3-9-21-15)17-16(19)12-5-7-13(20-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide has a molecular weight of 303.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide is sourced from PubChem (CID 97240938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).