N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide

C21H27NO2S — CID 93486915

IUPACN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2S/c1-15(2)13-20(17-7-9-18(24-4)10-8-17)22-21(23)14-25-19-11-5-16(3)6-12-19/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)/t20-/m0/s1
InChIKeyNMCYCWCOPQSUOP-FQEVSTJZSA-N
MW357.52 g/mol
LogP5.00
Rot. Bonds8

About N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 93486915) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID93486915
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2S/c1-15(2)13-20(17-7-9-18(24-4)10-8-17)22-21(23)14-25-19-11-5-16(3)6-12-19/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)/t20-/m0/s1
InChIKeyNMCYCWCOPQSUOP-FQEVSTJZSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46770370
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 94012975
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-(1-amino-4-methylpentan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119588609
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide (CID 93486915) is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide is COc1ccc([C@H](CC(C)C)NC(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is NMCYCWCOPQSUOP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-15(2)13-20(17-7-9-18(24-4)10-8-17)22-21(23)14-25-19-11-5-16(3)6-12-19/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 357.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 93486915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).