(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide

C15H17NO2S — CID 102109179

IUPAC(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide
SMILESCOc1ccc(NC(=O)C[C@H](C)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S/c1-11(12-7-8-19-10-12)9-15(17)16-13-3-5-14(18-2)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyCFIUCYIRQOWAOP-NSHDSACASA-N
MW275.37 g/mol
LogP3.89
Rot. Bonds5

About (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide

(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide (PubChem CID 102109179) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide
PubChem CID102109179
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide
SMILESCOc1ccc(NC(=O)C[C@H](C)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S/c1-11(12-7-8-19-10-12)9-15(17)16-13-3-5-14(18-2)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyCFIUCYIRQOWAOP-NSHDSACASA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
CID 75382758
3-amino-N-(1,2-benzothiazol-6-yl)-3-thiophen-3-ylpropanamide;N-(1,2-benzothiazol-6-yl)-3-thiophen-3-ylbutanamide;hydrochloride
CID 159108654
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide
CID 110374361
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide?
The IUPAC name of (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide (CID 102109179) is (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide.
What is the SMILES notation for (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide?
The canonical SMILES for (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide is COc1ccc(NC(=O)C[C@H](C)c2ccsc2)cc1.
What is the InChIKey of (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide?
The InChIKey is CFIUCYIRQOWAOP-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(12-7-8-19-10-12)9-15(17)16-13-3-5-14(18-2)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide?
(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide has a molecular weight of 275.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide is sourced from PubChem (CID 102109179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).