N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C20H30N2O3S — CID 99949383

IUPACN-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H30N2O3S/c23-20(21-19-8-4-2-1-3-5-9-19)18-12-10-17(11-13-18)16-26(24,25)22-14-6-7-15-22/h10-13,19H,1-9,14-16H2,(H,21,23)
InChIKeyKTTFJSOVTSZVKN-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.45
Rot. Bonds5

About N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 99949383) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID99949383
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H30N2O3S/c23-20(21-19-8-4-2-1-3-5-9-19)18-12-10-17(11-13-18)16-26(24,25)22-14-6-7-15-22/h10-13,19H,1-9,14-16H2,(H,21,23)
InChIKeyKTTFJSOVTSZVKN-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
4-(piperidin-1-ylsulfonylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132083
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 38004690
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 99949383) is N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is KTTFJSOVTSZVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-20(21-19-8-4-2-1-3-5-9-19)18-12-10-17(11-13-18)16-26(24,25)22-14-6-7-15-22/h10-13,19H,1-9,14-16H2,(H,21,23).
What are the key properties of N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 378.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 99949383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).