2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide

C14H23N5O4S — CID 134581085

IUPAC2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)cc1C(=O)NNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H23N5O4S/c1-10-8-12(19(17-10)9-13(20)15-2)14(21)16-18-24(22,23)11-6-4-3-5-7-11/h8,11,18H,3-7,9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyWBLXHWJJJBGIIZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP-0.17
Rot. Bonds6

About 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide

2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide (PubChem CID 134581085) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide
PubChem CID134581085
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC Name2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)cc1C(=O)NNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H23N5O4S/c1-10-8-12(19(17-10)9-13(20)15-2)14(21)16-18-24(22,23)11-6-4-3-5-7-11/h8,11,18H,3-7,9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyWBLXHWJJJBGIIZ-UHFFFAOYSA-N
XLogP-0.17
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide (CID 134581085) is 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C)cc1C(=O)NNS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide?
The InChIKey is WBLXHWJJJBGIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-10-8-12(19(17-10)9-13(20)15-2)14(21)16-18-24(22,23)11-6-4-3-5-7-11/h8,11,18H,3-7,9H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide?
2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide has a molecular weight of 357.44 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 134581085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).