3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide

C20H26N2O4S — CID 133255422

IUPAC3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(C(C)C)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)15-5-9-17(10-6-15)21-20(23)13-19(22-27(4,24)25)16-7-11-18(26-3)12-8-16/h5-12,14,19,22H,13H2,1-4H3,(H,21,23)
InChIKeyMVFCJEWJSJDWGB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.44
Rot. Bonds8

About 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide

3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 133255422) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID133255422
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(C(C)C)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)15-5-9-17(10-6-15)21-20(23)13-19(22-27(4,24)25)16-7-11-18(26-3)12-8-16/h5-12,14,19,22H,13H2,1-4H3,(H,21,23)
InChIKeyMVFCJEWJSJDWGB-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
CID 100784150
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
N-[4-(1-cyanocyclopropyl)phenyl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255378
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-(1,2-benzothiazol-5-yl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255363

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide (CID 133255422) is 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide is COc1ccc(C(CC(=O)Nc2ccc(C(C)C)cc2)NS(C)(=O)=O)cc1.
What is the InChIKey of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is MVFCJEWJSJDWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)15-5-9-17(10-6-15)21-20(23)13-19(22-27(4,24)25)16-7-11-18(26-3)12-8-16/h5-12,14,19,22H,13H2,1-4H3,(H,21,23).
What are the key properties of 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide?
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 133255422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).