(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide

C20H25ClN2O3S — CID 100783987

IUPAC(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-15(8-9-16-6-4-3-5-7-16)22-20(24)14-19(23-27(2,25)26)17-10-12-18(21)13-11-17/h3-7,10-13,15,19,23H,8-9,14H2,1-2H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyOWRUNBBUXROQDO-DNVCBOLYSA-N
MW408.95 g/mol
LogP3.46
Rot. Bonds9

About (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide

(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 100783987) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID100783987
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-15(8-9-16-6-4-3-5-7-16)22-20(24)14-19(23-27(2,25)26)17-10-12-18(21)13-11-17/h3-7,10-13,15,19,23H,8-9,14H2,1-2H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyOWRUNBBUXROQDO-DNVCBOLYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 133255349
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
(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
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
CID 133255076

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 100783987) is (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide is C[C@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is OWRUNBBUXROQDO-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-15(8-9-16-6-4-3-5-7-16)22-20(24)14-19(23-27(2,25)26)17-10-12-18(21)13-11-17/h3-7,10-13,15,19,23H,8-9,14H2,1-2H3,(H,22,24)/t15-,19-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 408.95 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 100783987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).