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

C24H29N5O5S — CID 34553635

IUPACN'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESCCn1c(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21
InChIInChI=1S/C24H29N5O5S/c1-2-28-20-11-4-5-12-21(20)29(24(28)32)16-13-22(30)25-26-23(31)18-9-8-10-19(17-18)35(33,34)27-14-6-3-7-15-27/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyOYYNDIGSWNLXNF-UHFFFAOYSA-N
MW499.59 g/mol
LogP1.85
Rot. Bonds7

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

N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 34553635) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID34553635
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESCCn1c(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21
InChIInChI=1S/C24H29N5O5S/c1-2-28-20-11-4-5-12-21(20)29(24(28)32)16-13-22(30)25-26-23(31)18-9-8-10-19(17-18)35(33,34)27-14-6-3-7-15-27/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyOYYNDIGSWNLXNF-UHFFFAOYSA-N
XLogP1.85
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 51.85
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-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 30211729
1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2465145
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-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27287862

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide (CID 34553635) is N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide is CCn1c(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21.
What is the InChIKey of N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is OYYNDIGSWNLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-2-28-20-11-4-5-12-21(20)29(24(28)32)16-13-22(30)25-26-23(31)18-9-8-10-19(17-18)35(33,34)27-14-6-3-7-15-27/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide?
N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 499.59 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 34553635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).