N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide

C18H21NO2S — CID 23743067

IUPACN-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
SMILESCCC(Sc1ccc(C)cc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H21NO2S/c1-4-17(22-16-10-8-13(2)9-11-16)18(20)19-14-6-5-7-15(12-14)21-3/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyZYSIXXDMDQLOGF-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.51
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide

N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide (PubChem CID 23743067) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
PubChem CID23743067
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
SMILESCCC(Sc1ccc(C)cc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H21NO2S/c1-4-17(22-16-10-8-13(2)9-11-16)18(20)19-14-6-5-7-15(12-14)21-3/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyZYSIXXDMDQLOGF-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
CID 23886285
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906587
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-methoxyphenyl)butanamide
CID 19317300
N-(2,4-dimethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide
CID 19316719
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903385
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18905147
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
3-methoxy-N-[3-[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18899613

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide (CID 23743067) is N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide is CCC(Sc1ccc(C)cc1)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide?
The InChIKey is ZYSIXXDMDQLOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-17(22-16-10-8-13(2)9-11-16)18(20)19-14-6-5-7-15(12-14)21-3/h5-12,17H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide?
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide has a molecular weight of 315.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 23743067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).