4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide

C25H29N3O3S — CID 58974997

IUPAC4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C25H29N3O3S/c29-25(26-27-16-6-1-7-17-27)20-12-14-21(15-13-20)32(30,31)28-18-23(19-8-2-3-9-19)22-10-4-5-11-24(22)28/h4-5,10-15,18-19H,1-3,6-9,16-17H2,(H,26,29)
InChIKeyVMUITRXBQXLSRU-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.67
Rot. Bonds5

About 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide

4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide (PubChem CID 58974997) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide
PubChem CID58974997
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C25H29N3O3S/c29-25(26-27-16-6-1-7-17-27)20-12-14-21(15-13-20)32(30,31)28-18-23(19-8-2-3-9-19)22-10-4-5-11-24(22)28/h4-5,10-15,18-19H,1-3,6-9,16-17H2,(H,26,29)
InChIKeyVMUITRXBQXLSRU-UHFFFAOYSA-N
XLogP4.67
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide
CID 58975069
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 8891035
(1R,3R)-N-methyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2,3-dihydro-1H-inden-1-amine
CID 68910845
(2S)-2-[(R)-[1-(benzenesulfonyl)indol-3-yl]-hydroxymethyl]cycloheptan-1-one
CID 102109922
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
CID 10272325
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide
CID 9271650
5-[1-(benzenesulfonyl)indol-3-yl]-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 50916769
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide?
The IUPAC name of 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide (CID 58974997) is 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide?
The canonical SMILES for 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1.
What is the InChIKey of 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide?
The InChIKey is VMUITRXBQXLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c29-25(26-27-16-6-1-7-17-27)20-12-14-21(15-13-20)32(30,31)28-18-23(19-8-2-3-9-19)22-10-4-5-11-24(22)28/h4-5,10-15,18-19H,1-3,6-9,16-17H2,(H,26,29).
What are the key properties of 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide?
4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide has a molecular weight of 451.59 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 58974997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).