N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C18H27N3O3S — CID 9091107

IUPACN-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-20-13-9-16(10-14-20)19-18(22)15-5-7-17(8-6-15)25(23,24)21-11-3-4-12-21/h5-8,16H,2-4,9-14H2,1H3,(H,19,22)
InChIKeyLZYJBHUOTPBTTH-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.69
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9091107) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9091107
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-20-13-9-16(10-14-20)19-18(22)15-5-7-17(8-6-15)25(23,24)21-11-3-4-12-21/h5-8,16H,2-4,9-14H2,1H3,(H,19,22)
InChIKeyLZYJBHUOTPBTTH-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562882
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7746205
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9091107) is N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LZYJBHUOTPBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-20-13-9-16(10-14-20)19-18(22)15-5-7-17(8-6-15)25(23,24)21-11-3-4-12-21/h5-8,16H,2-4,9-14H2,1H3,(H,19,22).
What are the key properties of N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 365.50 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9091107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).