2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C17H20N2O4S — CID 740852

IUPAC2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(N)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-15-7-9-16(10-8-15)24(21,22)19(13-17(18)20)12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,18,20)
InChIKeyNUOOMOFYRBAOAP-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.41
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 740852) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID740852
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(N)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-15-7-9-16(10-8-15)24(21,22)19(13-17(18)20)12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,18,20)
InChIKeyNUOOMOFYRBAOAP-UHFFFAOYSA-N
XLogP1.41
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 740852) is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is NUOOMOFYRBAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-15-7-9-16(10-8-15)24(21,22)19(13-17(18)20)12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,18,20).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 740852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).