4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide

C18H25N5O7S2 — CID 55699112

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H25N5O7S2/c1-13-17(14(2)30-20-13)32(27,28)23-11-9-22(10-12-23)18(24)19-15-5-7-16(8-6-15)31(25,26)21(3)29-4/h5-8H,9-12H2,1-4H3,(H,19,24)
InChIKeyFCDAXBVRBKAXQW-UHFFFAOYSA-N
MW487.56 g/mol
LogP1.01
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide (PubChem CID 55699112) has the molecular formula C18H25N5O7S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide
PubChem CID55699112
Molecular FormulaC18H25N5O7S2
Molecular Weight487.56 g/mol
Exact Mass487.12
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H25N5O7S2/c1-13-17(14(2)30-20-13)32(27,28)23-11-9-22(10-12-23)18(24)19-15-5-7-16(8-6-15)31(25,26)21(3)29-4/h5-8H,9-12H2,1-4H3,(H,19,24)
InChIKeyFCDAXBVRBKAXQW-UHFFFAOYSA-N
XLogP1.01
TPSA142.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 51274962
N-[4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 9151335
N-(3-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide
CID 41429999
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide
CID 55744775
N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide
CID 110811198
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811197
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 56554719
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110812047
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide
CID 55741599

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide (CID 55699112) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide is CON(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide?
The InChIKey is FCDAXBVRBKAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O7S2/c1-13-17(14(2)30-20-13)32(27,28)23-11-9-22(10-12-23)18(24)19-15-5-7-16(8-6-15)31(25,26)21(3)29-4/h5-8H,9-12H2,1-4H3,(H,19,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55699112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).