(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

C18H22N2O4S — CID 40640573

IUPAC(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(18(21)19-13-12-15-6-4-3-5-7-15)20-25(22,23)17-10-8-16(24-2)9-11-17/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyCFJXGHWCZTXIJJ-AWEZNQCLSA-N
MW362.45 g/mol
LogP1.72
Rot. Bonds8

About (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 40640573) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID40640573
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(18(21)19-13-12-15-6-4-3-5-7-15)20-25(22,23)17-10-8-16(24-2)9-11-17/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyCFJXGHWCZTXIJJ-AWEZNQCLSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4197939
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24594322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (CID 40640573) is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is CFJXGHWCZTXIJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(18(21)19-13-12-15-6-4-3-5-7-15)20-25(22,23)17-10-8-16(24-2)9-11-17/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 40640573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).