4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide

C15H19N3O6S — CID 10177120

IUPAC4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)CC2C(=O)NO)cc1
InChIInChI=1S/C15H19N3O6S/c1-24-11-4-6-12(7-5-11)25(22,23)18-9-14(19)17(10-2-3-10)8-13(18)15(20)16-21/h4-7,10,13,21H,2-3,8-9H2,1H3,(H,16,20)
InChIKeyMDLILMSFLWLJCB-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.44
Rot. Bonds5

About 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide

4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide (PubChem CID 10177120) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
PubChem CID10177120
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)CC2C(=O)NO)cc1
InChIInChI=1S/C15H19N3O6S/c1-24-11-4-6-12(7-5-11)25(22,23)18-9-14(19)17(10-2-3-10)8-13(18)15(20)16-21/h4-7,10,13,21H,2-3,8-9H2,1H3,(H,16,20)
InChIKeyMDLILMSFLWLJCB-UHFFFAOYSA-N
XLogP-0.44
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
CID 10200090
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
CID 10549612
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-methylpiperazin-1-yl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 101199613
N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
CID 20712390
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10550304
(4R)-1-tert-butyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxamide
CID 10362663
N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide
CID 18411988
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 10716486
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide (CID 10177120) is 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)CC2C(=O)NO)cc1.
What is the InChIKey of 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide?
The InChIKey is MDLILMSFLWLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-24-11-4-6-12(7-5-11)25(22,23)18-9-14(19)17(10-2-3-10)8-13(18)15(20)16-21/h4-7,10,13,21H,2-3,8-9H2,1H3,(H,16,20).
What are the key properties of 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide?
4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 10177120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).