N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide

C18H24N4O5S — CID 42952930

IUPACN-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N4O5S/c1-12(19-17(24)13-4-5-13)16(23)20-21-18(25)14-6-8-15(9-7-14)28(26,27)22-10-2-3-11-22/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyMUVDFYCAFMPDIE-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.15
Rot. Bonds6

About N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide

N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide (PubChem CID 42952930) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
PubChem CID42952930
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N4O5S/c1-12(19-17(24)13-4-5-13)16(23)20-21-18(25)14-6-8-15(9-7-14)28(26,27)22-10-2-3-11-22/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyMUVDFYCAFMPDIE-UHFFFAOYSA-N
XLogP0.15
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
CID 24634910
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18146405
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
4-(azepan-1-ylsulfonyl)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzamide
CID 98287722
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405
1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8747962
1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 3716973

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide (CID 42952930) is N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide is CC(NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide?
The InChIKey is MUVDFYCAFMPDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-12(19-17(24)13-4-5-13)16(23)20-21-18(25)14-6-8-15(9-7-14)28(26,27)22-10-2-3-11-22/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide?
N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide has a molecular weight of 408.48 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42952930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).