N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide

C18H26N4O3S — CID 47083103

IUPACN-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H26N4O3S/c1-6-22(13-14-11-19-21(5)12-14)26(24,25)16-9-7-15(8-10-16)20-17(23)18(2,3)4/h7-12H,6,13H2,1-5H3,(H,20,23)
InChIKeyTXBIEQHLSKIUSQ-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.62
Rot. Bonds6

About N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide

N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 47083103) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
PubChem CID47083103
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H26N4O3S/c1-6-22(13-14-11-19-21(5)12-14)26(24,25)16-9-7-15(8-10-16)20-17(23)18(2,3)4/h7-12H,6,13H2,1-5H3,(H,20,23)
InChIKeyTXBIEQHLSKIUSQ-UHFFFAOYSA-N
XLogP2.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide (CID 47083103) is N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is TXBIEQHLSKIUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-6-22(13-14-11-19-21(5)12-14)26(24,25)16-9-7-15(8-10-16)20-17(23)18(2,3)4/h7-12H,6,13H2,1-5H3,(H,20,23).
What are the key properties of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 378.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 47083103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).