1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C19H28N4O4S — CID 8531440

IUPAC1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C19H28N4O4S/c20-18(24)16-5-1-2-6-17(16)28(26,27)23-12-7-15(8-13-23)19(25)21-9-14-22-10-3-4-11-22/h1-2,5-6,15H,3-4,7-14H2,(H2,20,24)(H,21,25)
InChIKeyGHTDGHQCCODAQW-UHFFFAOYSA-N
MW408.52 g/mol
LogP0.40
Rot. Bonds7

About 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 8531440) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID8531440
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C19H28N4O4S/c20-18(24)16-5-1-2-6-17(16)28(26,27)23-12-7-15(8-13-23)19(25)21-9-14-22-10-3-4-11-22/h1-2,5-6,15H,3-4,7-14H2,(H2,20,24)(H,21,25)
InChIKeyGHTDGHQCCODAQW-UHFFFAOYSA-N
XLogP0.40
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 8547395
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 42990230
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
N-[3-(azepan-1-yl)propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 20853494
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(5-bromo-2-fluorophenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 60609536
methyl 5-[4-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 91949851

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 8531440) is 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is NC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1.
What is the InChIKey of 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is GHTDGHQCCODAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c20-18(24)16-5-1-2-6-17(16)28(26,27)23-12-7-15(8-13-23)19(25)21-9-14-22-10-3-4-11-22/h1-2,5-6,15H,3-4,7-14H2,(H2,20,24)(H,21,25).
What are the key properties of 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 8531440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).