(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide

C18H22N2O4S — CID 92647846

IUPAC(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-19-18(21)13-17(14-9-11-15(24-3)12-10-14)20(2)25(22,23)16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyPWCQYQQVEBKCEQ-QGZVFWFLSA-N
MW362.45 g/mol
LogP2.19
Rot. Bonds7

About (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide

(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 92647846) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID92647846
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-19-18(21)13-17(14-9-11-15(24-3)12-10-14)20(2)25(22,23)16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyPWCQYQQVEBKCEQ-QGZVFWFLSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[benzenesulfonyl(methyl)amino]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 92647848
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647943
(3S)-3-[benzenesulfonyl(methyl)amino]-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 92647867
(3S)-N-(3-acetamidophenyl)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanamide
CID 92648099
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 92647883
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 92647901
(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 92647885
4-[[(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]benzamide
CID 92648025
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 92647918
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647962
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-ethoxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92648071

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 92647846) is (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide is CNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is PWCQYQQVEBKCEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-19-18(21)13-17(14-9-11-15(24-3)12-10-14)20(2)25(22,23)16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide?
(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 92647846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).