(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide

C18H22N2O4S — CID 100784306

IUPAC(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2cccc(C)c2)NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-5-4-6-15(11-13)19-18(21)12-17(20-25(3,22)23)14-7-9-16(24-2)10-8-14/h4-11,17,20H,12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyMCEOYWRTIJJEPI-KRWDZBQOSA-N
MW362.45 g/mol
LogP2.62
Rot. Bonds7

About (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide

(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide (PubChem CID 100784306) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
PubChem CID100784306
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2cccc(C)c2)NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-5-4-6-15(11-13)19-18(21)12-17(20-25(3,22)23)14-7-9-16(24-2)10-8-14/h4-11,17,20H,12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyMCEOYWRTIJJEPI-KRWDZBQOSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 100784037
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 56689192
(3S)-N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784376
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
N-(1,2-benzothiazol-5-yl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255363
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide?
The IUPAC name of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide (CID 100784306) is (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide is COc1ccc([C@H](CC(=O)Nc2cccc(C)c2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide?
The InChIKey is MCEOYWRTIJJEPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-5-4-6-15(11-13)19-18(21)12-17(20-25(3,22)23)14-7-9-16(24-2)10-8-14/h4-11,17,20H,12H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide?
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 100784306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).