(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide

C19H23ClN2O4S — CID 100783542

IUPAC(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-13(14-6-10-17(26-2)11-7-14)21-19(23)12-18(22-27(3,24)25)15-4-8-16(20)9-5-15/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t13-,18-/m1/s1
InChIKeyNZWOSSAULVVHEY-FZKQIMNGSA-N
MW410.92 g/mol
LogP3.21
Rot. Bonds8

About (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide

(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 100783542) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID100783542
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-13(14-6-10-17(26-2)11-7-14)21-19(23)12-18(22-27(3,24)25)15-4-8-16(20)9-5-15/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t13-,18-/m1/s1
InChIKeyNZWOSSAULVVHEY-FZKQIMNGSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782864
(3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782863
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3S)-N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784376
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (CID 100783542) is (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is NZWOSSAULVVHEY-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13(14-6-10-17(26-2)11-7-14)21-19(23)12-18(22-27(3,24)25)15-4-8-16(20)9-5-15/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t13-,18-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 100783542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).