N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide

C22H25N3O3S — CID 55853401

IUPACN-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1
InChIInChI=1S/C22H25N3O3S/c1-29(27,28)24-17-10-7-13-25(14-17)15-20(26)21-18-11-5-6-12-19(18)23-22(21)16-8-3-2-4-9-16/h2-6,8-9,11-12,17,23-24H,7,10,13-15H2,1H3
InChIKeyYQZKLYATYCRLNL-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.03
Rot. Bonds6

About N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 55853401) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide
PubChem CID55853401
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1
InChIInChI=1S/C22H25N3O3S/c1-29(27,28)24-17-10-7-13-25(14-17)15-20(26)21-18-11-5-6-12-19(18)23-22(21)16-8-3-2-4-9-16/h2-6,8-9,11-12,17,23-24H,7,10,13-15H2,1H3
InChIKeyYQZKLYATYCRLNL-UHFFFAOYSA-N
XLogP3.03
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8548729
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 86982166
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 55626329
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 87016774
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide (CID 55853401) is N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1.
What is the InChIKey of N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is YQZKLYATYCRLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-29(27,28)24-17-10-7-13-25(14-17)15-20(26)21-18-11-5-6-12-19(18)23-22(21)16-8-3-2-4-9-16/h2-6,8-9,11-12,17,23-24H,7,10,13-15H2,1H3.
What are the key properties of N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 55853401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).