N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide

C18H28N2O3S — CID 46224640

IUPACN-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-6-18(4,5)17(21)20-15-9-12(2)13(3)16(10-15)24(22,23)19-11-14-7-8-14/h9-10,14,19H,6-8,11H2,1-5H3,(H,20,21)
InChIKeyMHRHURBQZMUUAD-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.37
Rot. Bonds7

About N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide

N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide (PubChem CID 46224640) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
PubChem CID46224640
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-6-18(4,5)17(21)20-15-9-12(2)13(3)16(10-15)24(22,23)19-11-14-7-8-14/h9-10,14,19H,6-8,11H2,1-5H3,(H,20,21)
InChIKeyMHRHURBQZMUUAD-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide 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-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide (CID 46224640) is N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
The InChIKey is MHRHURBQZMUUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-6-18(4,5)17(21)20-15-9-12(2)13(3)16(10-15)24(22,23)19-11-14-7-8-14/h9-10,14,19H,6-8,11H2,1-5H3,(H,20,21).
What are the key properties of N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide?
N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide has a molecular weight of 352.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 46224640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).