1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide

C19H20N4O4S — CID 26688012

IUPAC1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O4S/c24-18(20-14-6-7-16-17(12-14)22-19(25)21-16)13-8-10-23(11-9-13)28(26,27)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,20,24)(H2,21,22,25)
InChIKeyJPBHGVYAGWOZNC-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.90
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide (PubChem CID 26688012) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
PubChem CID26688012
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O4S/c24-18(20-14-6-7-16-17(12-14)22-19(25)21-16)13-8-10-23(11-9-13)28(26,27)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,20,24)(H2,21,22,25)
InChIKeyJPBHGVYAGWOZNC-UHFFFAOYSA-N
XLogP1.90
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 55885014
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide
CID 42125952
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
(3S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397559
(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397582
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 100644610

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide (CID 26688012) is 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide?
The InChIKey is JPBHGVYAGWOZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-18(20-14-6-7-16-17(12-14)22-19(25)21-16)13-8-10-23(11-9-13)28(26,27)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,20,24)(H2,21,22,25).
What are the key properties of 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26688012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).