2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide

C21H27N3O3S — CID 55482564

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3S/c1-16-7-6-8-19(15-16)22-21(25)17(2)24-13-11-18(12-14-24)23-28(26,27)20-9-4-3-5-10-20/h3-10,15,17-18,23H,11-14H2,1-2H3,(H,22,25)
InChIKeyQHCQNSUSJXMKQU-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.76
Rot. Bonds6

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide (PubChem CID 55482564) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
PubChem CID55482564
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3S/c1-16-7-6-8-19(15-16)22-21(25)17(2)24-13-11-18(12-14-24)23-28(26,27)20-9-4-3-5-10-20/h3-10,15,17-18,23H,11-14H2,1-2H3,(H,22,25)
InChIKeyQHCQNSUSJXMKQU-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 40811536
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
CID 42929202
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 42912172
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55499047
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide (CID 55482564) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is QHCQNSUSJXMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-7-6-8-19(15-16)22-21(25)17(2)24-13-11-18(12-14-24)23-28(26,27)20-9-4-3-5-10-20/h3-10,15,17-18,23H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 55482564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).