2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide

C20H26N2O4S — CID 3138910

IUPAC2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-16(2)21-20(23)15-22(14-13-17-7-5-4-6-8-17)27(24,25)19-11-9-18(26-3)10-12-19/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyCVAJHNKOQRSORZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.45
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide

2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide (PubChem CID 3138910) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide
PubChem CID3138910
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-16(2)21-20(23)15-22(14-13-17-7-5-4-6-8-17)27(24,25)19-11-9-18(26-3)10-12-19/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyCVAJHNKOQRSORZ-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.45
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]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide (CID 3138910) is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is CVAJHNKOQRSORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16(2)21-20(23)15-22(14-13-17-7-5-4-6-8-17)27(24,25)19-11-9-18(26-3)10-12-19/h4-12,16H,13-15H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide?
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.45, 9 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 3138910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).