N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide

C23H27N5O5S — CID 30211729

IUPACN'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESCn1c(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21
InChIInChI=1S/C23H27N5O5S/c1-26-19-10-3-4-11-20(19)28(23(26)31)15-12-21(29)24-25-22(30)17-8-7-9-18(16-17)34(32,33)27-13-5-2-6-14-27/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyJWLJFWHURNTYQX-UHFFFAOYSA-N
MW485.57 g/mol
LogP1.37
Rot. Bonds6

About N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide

N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 30211729) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID30211729
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC NameN'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESCn1c(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21
InChIInChI=1S/C23H27N5O5S/c1-26-19-10-3-4-11-20(19)28(23(26)31)15-12-21(29)24-25-22(30)17-8-7-9-18(16-17)34(32,33)27-13-5-2-6-14-27/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyJWLJFWHURNTYQX-UHFFFAOYSA-N
XLogP1.37
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 34553635
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24634971
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9093828
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 3947169
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide (CID 30211729) is N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide is Cn1c(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21.
What is the InChIKey of N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is JWLJFWHURNTYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c1-26-19-10-3-4-11-20(19)28(23(26)31)15-12-21(29)24-25-22(30)17-8-7-9-18(16-17)34(32,33)27-13-5-2-6-14-27/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 485.57 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 30211729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).