2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide

C17H20N2O4S — CID 40720374

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(14-6-4-3-5-7-14)19-17(20)12-18-24(21,22)16-10-8-15(23-2)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyXYNPUXWDQMDHOT-ZDUSSCGKSA-N
MW348.42 g/mol
LogP1.85
Rot. Bonds7

About 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide

2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 40720374) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID40720374
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(14-6-4-3-5-7-14)19-17(20)12-18-24(21,22)16-10-8-15(23-2)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyXYNPUXWDQMDHOT-ZDUSSCGKSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499700
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24643135
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112998738
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992365

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 40720374) is 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is XYNPUXWDQMDHOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(14-6-4-3-5-7-14)19-17(20)12-18-24(21,22)16-10-8-15(23-2)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 40720374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).