5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C18H20N4O4S — CID 53183215

IUPAC5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H20N4O4S/c1-12-16(27(24,25)20-10-13-7-5-4-6-8-13)9-15(26-12)17-14(11-19-21-17)18(23)22(2)3/h4-9,11,20H,10H2,1-3H3,(H,19,21)
InChIKeyGQJJXWHJRGPYGA-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.16
Rot. Bonds6

About 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 53183215) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID53183215
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H20N4O4S/c1-12-16(27(24,25)20-10-13-7-5-4-6-8-13)9-15(26-12)17-14(11-19-21-17)18(23)22(2)3/h4-9,11,20H,10H2,1-3H3,(H,19,21)
InChIKeyGQJJXWHJRGPYGA-UHFFFAOYSA-N
XLogP2.16
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183245
2-methyl-N-[(3-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183108
N-[(3-fluorophenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183099
5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183202
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183075
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
CID 123841690
2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183128
3-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 60911333

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 53183215) is 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is Cc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GQJJXWHJRGPYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12-16(27(24,25)20-10-13-7-5-4-6-8-13)9-15(26-12)17-14(11-19-21-17)18(23)22(2)3/h4-9,11,20H,10H2,1-3H3,(H,19,21).
What are the key properties of 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53183215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).