N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide

C14H18N4O3S — CID 4318633

IUPACN-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H18N4O3S/c1-11(19)16-13-4-6-14(7-5-13)22(20,21)18(3)10-12-8-15-17(2)9-12/h4-9H,10H2,1-3H3,(H,16,19)
InChIKeyZCINMHMXDKDCBW-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.20
Rot. Bonds5

About N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide

N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide (PubChem CID 4318633) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
PubChem CID4318633
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H18N4O3S/c1-11(19)16-13-4-6-14(7-5-13)22(20,21)18(3)10-12-8-15-17(2)9-12/h4-9H,10H2,1-3H3,(H,16,19)
InChIKeyZCINMHMXDKDCBW-UHFFFAOYSA-N
XLogP1.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide (CID 4318633) is N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ZCINMHMXDKDCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-11(19)16-13-4-6-14(7-5-13)22(20,21)18(3)10-12-8-15-17(2)9-12/h4-9H,10H2,1-3H3,(H,16,19).
What are the key properties of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4318633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).