2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide

C23H31N3O3S — CID 99967123

IUPAC2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-19-8-10-22(11-9-19)30(28,29)26(17-12-20-6-4-3-5-7-20)18-23(27)24-21-13-15-25(2)16-14-21/h3-11,21H,12-18H2,1-2H3,(H,24,27)
InChIKeyRBMJQUBWQBEMCN-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.44
Rot. Bonds8

About 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide

2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99967123) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID99967123
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-19-8-10-22(11-9-19)30(28,29)26(17-12-20-6-4-3-5-7-20)18-23(27)24-21-13-15-25(2)16-14-21/h3-11,21H,12-18H2,1-2H3,(H,24,27)
InChIKeyRBMJQUBWQBEMCN-UHFFFAOYSA-N
XLogP2.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967313
N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 42878689
2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967406
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971075
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874368
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide (CID 99967123) is 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is RBMJQUBWQBEMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-19-8-10-22(11-9-19)30(28,29)26(17-12-20-6-4-3-5-7-20)18-23(27)24-21-13-15-25(2)16-14-21/h3-11,21H,12-18H2,1-2H3,(H,24,27).
What are the key properties of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide?
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99967123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).