(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C15H24N2O4S — CID 100784235

IUPAC(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-11(2)16-15(18)10-14(17-22(4,19)20)12-6-8-13(21-3)9-7-12/h6-9,11,14,17H,5,10H2,1-4H3,(H,16,18)/t11-,14-/m1/s1
InChIKeyBWPMUVLGYRJVGC-BXUZGUMPSA-N
MW328.43 g/mol
LogP1.59
Rot. Bonds8

About (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 100784235) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID100784235
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-11(2)16-15(18)10-14(17-22(4,19)20)12-6-8-13(21-3)9-7-12/h6-9,11,14,17H,5,10H2,1-4H3,(H,16,18)/t11-,14-/m1/s1
InChIKeyBWPMUVLGYRJVGC-BXUZGUMPSA-N
XLogP1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.59
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-[(2S)-butan-2-yl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782912
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
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
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
CID 133255076
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 133255472
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784428

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 100784235) is (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is CC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is BWPMUVLGYRJVGC-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-11(2)16-15(18)10-14(17-22(4,19)20)12-6-8-13(21-3)9-7-12/h6-9,11,14,17H,5,10H2,1-4H3,(H,16,18)/t11-,14-/m1/s1.
What are the key properties of (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100784235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).