3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide

C22H29NO6S — CID 97013281

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc([C@@H](NC(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C22H29NO6S/c1-15(2)22(16-6-8-17(27-3)9-7-16)23-21(24)12-13-30(25,26)18-10-11-19(28-4)20(14-18)29-5/h6-11,14-15,22H,12-13H2,1-5H3,(H,23,24)/t22-/m0/s1
InChIKeyFAJUXYSQXIHYJH-QFIPXVFZSA-N
MW435.54 g/mol
LogP3.39
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide

3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 97013281) has the molecular formula C22H29NO6S and a molecular weight of 435.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide
PubChem CID97013281
Molecular FormulaC22H29NO6S
Molecular Weight435.54 g/mol
Exact Mass435.17
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc([C@@H](NC(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C22H29NO6S/c1-15(2)22(16-6-8-17(27-3)9-7-16)23-21(24)12-13-30(25,26)18-10-11-19(28-4)20(14-18)29-5/h6-11,14-15,22H,12-13H2,1-5H3,(H,23,24)/t22-/m0/s1
InChIKeyFAJUXYSQXIHYJH-QFIPXVFZSA-N
XLogP3.39
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 78814090
(2R)-2-[3-(3,4-dimethoxyphenyl)sulfonylpropanoylamino]-4-methylpentanoic acid
CID 119364738
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide (CID 97013281) is 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide is COc1ccc([C@@H](NC(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is FAJUXYSQXIHYJH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29NO6S/c1-15(2)22(16-6-8-17(27-3)9-7-16)23-21(24)12-13-30(25,26)18-10-11-19(28-4)20(14-18)29-5/h6-11,14-15,22H,12-13H2,1-5H3,(H,23,24)/t22-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 435.54 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 97013281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).