2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C22H29N3O3S — CID 8901179

IUPAC2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H29N3O3S/c1-18-11-12-20(15-21(18)29(27,28)25-13-7-4-8-14-25)23-22(26)17-24(2)16-19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,23,26)
InChIKeyNAGPAEUUZQPNSI-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.24
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8901179) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID8901179
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H29N3O3S/c1-18-11-12-20(15-21(18)29(27,28)25-13-7-4-8-14-25)23-22(26)17-24(2)16-19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,23,26)
InChIKeyNAGPAEUUZQPNSI-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide
CID 78822346
N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide
CID 9052709
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
benzyl-methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium
CID 8901178
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16618211
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 8901179) is 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is NAGPAEUUZQPNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18-11-12-20(15-21(18)29(27,28)25-13-7-4-8-14-25)23-22(26)17-24(2)16-19-9-5-3-6-10-19/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,23,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8901179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).