N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide

C21H28N2O3S — CID 42919490

IUPACN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(c2ccc(C(C)C)cc2)C(C)C)c1
InChIInChI=1S/C21H28N2O3S/c1-14(2)16-9-11-17(12-10-16)20(15(3)4)23-21(24)18-7-6-8-19(13-18)27(25,26)22-5/h6-15,20,22H,1-5H3,(H,23,24)
InChIKeyPHHBCSXAJCOZFJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.85
Rot. Bonds7

About N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide (PubChem CID 42919490) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
PubChem CID42919490
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(c2ccc(C(C)C)cc2)C(C)C)c1
InChIInChI=1S/C21H28N2O3S/c1-14(2)16-9-11-17(12-10-16)20(15(3)4)23-21(24)18-7-6-8-19(13-18)27(25,26)22-5/h6-15,20,22H,1-5H3,(H,23,24)
InChIKeyPHHBCSXAJCOZFJ-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 55389083
2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide
CID 55511325
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 55447557
propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 46483453

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide (CID 42919490) is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NC(c2ccc(C(C)C)cc2)C(C)C)c1.
What is the InChIKey of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is PHHBCSXAJCOZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-14(2)16-9-11-17(12-10-16)20(15(3)4)23-21(24)18-7-6-8-19(13-18)27(25,26)22-5/h6-15,20,22H,1-5H3,(H,23,24).
What are the key properties of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide?
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 42919490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).