N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H31N3O5S — CID 42962136

IUPACN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)C(=O)N(C)C
InChIInChI=1S/C20H31N3O5S/c1-14(2)11-18(20(25)23(3)4)22-19(24)15-7-5-9-17(12-15)29(26,27)21-13-16-8-6-10-28-16/h5,7,9,12,14,16,18,21H,6,8,10-11,13H2,1-4H3,(H,22,24)
InChIKeySKSQZPSETQUBPE-UHFFFAOYSA-N
MW425.55 g/mol
LogP1.38
Rot. Bonds9

About N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 42962136) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID42962136
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC NameN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)C(=O)N(C)C
InChIInChI=1S/C20H31N3O5S/c1-14(2)11-18(20(25)23(3)4)22-19(24)15-7-5-9-17(12-15)29(26,27)21-13-16-8-6-10-28-16/h5,7,9,12,14,16,18,21H,6,8,10-11,13H2,1-4H3,(H,22,24)
InChIKeySKSQZPSETQUBPE-UHFFFAOYSA-N
XLogP1.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide 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

N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976917
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074570
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074571
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 42962136) is N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC(C)CC(NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is SKSQZPSETQUBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-14(2)11-18(20(25)23(3)4)22-19(24)15-7-5-9-17(12-15)29(26,27)21-13-16-8-6-10-28-16/h5,7,9,12,14,16,18,21H,6,8,10-11,13H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 425.55 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 42962136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).