(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C19H24N2O5S — CID 100784428

IUPAC(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-26-18-8-6-5-7-16(18)20-19(22)13-17(21-27(3,23)24)14-9-11-15(25-2)12-10-14/h5-12,17,21H,4,13H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyCVDRWCADGSSRKY-KRWDZBQOSA-N
MW392.48 g/mol
LogP2.71
Rot. Bonds9

About (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 100784428) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID100784428
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-26-18-8-6-5-7-16(18)20-19(22)13-17(21-27(3,23)24)14-9-11-15(25-2)12-10-14/h5-12,17,21H,4,13H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyCVDRWCADGSSRKY-KRWDZBQOSA-N
XLogP2.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784613
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
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-(2-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112998822
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 100784428) is (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is CVDRWCADGSSRKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-26-18-8-6-5-7-16(18)20-19(22)13-17(21-27(3,23)24)14-9-11-15(25-2)12-10-14/h5-12,17,21H,4,13H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100784428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).