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

C15H21N5O5S — CID 24634910

IUPAC[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H21N5O5S/c1-10(17-15(16)23)13(21)18-19-14(22)11-4-6-12(7-5-11)26(24,25)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,19,22)(H3,16,17,23)
InChIKeyQHGBVPRCJWQNHG-UHFFFAOYSA-N
MW383.43 g/mol
LogP-0.71
Rot. Bonds5

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

[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea (PubChem CID 24634910) has the molecular formula C15H21N5O5S and a molecular weight of 383.43 g/mol. Its IUPAC name is [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea.

Molecular Properties

Compound Name[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
PubChem CID24634910
Molecular FormulaC15H21N5O5S
Molecular Weight383.43 g/mol
Exact Mass383.13
IUPAC Name[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H21N5O5S/c1-10(17-15(16)23)13(21)18-19-14(22)11-4-6-12(7-5-11)26(24,25)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,19,22)(H3,16,17,23)
InChIKeyQHGBVPRCJWQNHG-UHFFFAOYSA-N
XLogP-0.71
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
CID 42952930
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
[(2S,3S)-3-methyl-1-oxo-1-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]pentan-2-yl]urea
CID 18774750
N-[1-oxo-1-[2-(3-piperidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
CID 55489674
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2638111
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18146405
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea?
The IUPAC name of [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea (CID 24634910) is [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea.
What is the SMILES notation for [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea?
The canonical SMILES for [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea is CC(NC(N)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea?
The InChIKey is QHGBVPRCJWQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5S/c1-10(17-15(16)23)13(21)18-19-14(22)11-4-6-12(7-5-11)26(24,25)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,19,22)(H3,16,17,23).
What are the key properties of [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea?
[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea has a molecular weight of 383.43 g/mol, XLogP of -0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea is sourced from PubChem (CID 24634910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).