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

C20H26N2O5S — CID 100784179

IUPAC(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-14(15-5-9-17(26-2)10-6-15)21-20(23)13-19(22-28(4,24)25)16-7-11-18(27-3)12-8-16/h5-12,14,19,22H,13H2,1-4H3,(H,21,23)/t14-,19-/m0/s1
InChIKeyGUDQXWVZKTULLZ-LIRRHRJNSA-N
MW406.50 g/mol
LogP2.56
Rot. Bonds9

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

(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 100784179) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID100784179
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-14(15-5-9-17(26-2)10-6-15)21-20(23)13-19(22-28(4,24)25)16-7-11-18(27-3)12-8-16/h5-12,14,19,22H,13H2,1-4H3,(H,21,23)/t14-,19-/m0/s1
InChIKeyGUDQXWVZKTULLZ-LIRRHRJNSA-N
XLogP2.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
(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
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782863
(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782864
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide (CID 100784179) is (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is GUDQXWVZKTULLZ-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(15-5-9-17(26-2)10-6-15)21-20(23)13-19(22-28(4,24)25)16-7-11-18(27-3)12-8-16/h5-12,14,19,22H,13H2,1-4H3,(H,21,23)/t14-,19-/m0/s1.
What are the key properties of (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide?
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 100784179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).