2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide

C16H26N2O3S — CID 159113600

IUPAC2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)NC(C)C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C16H26N2O3S/c1-11(2)17-15(19)10-13-8-7-12(3)14(9-13)22(20,21)18-16(4,5)6/h7-9,11,18H,10H2,1-6H3,(H,17,19)
InChIKeyUCMWEEXFWPLFCZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.14
Rot. Bonds5

About 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide

2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide (PubChem CID 159113600) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide
PubChem CID159113600
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)NC(C)C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C16H26N2O3S/c1-11(2)17-15(19)10-13-8-7-12(3)14(9-13)22(20,21)18-16(4,5)6/h7-9,11,18H,10H2,1-6H3,(H,17,19)
InChIKeyUCMWEEXFWPLFCZ-UHFFFAOYSA-N
XLogP2.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39418051
[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 155100743
2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide
CID 155100757
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402364
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
CID 120593058
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
[3-(tert-butylsulfamoyl)-4-methylphenyl]-(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123647380

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide (CID 159113600) is 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide is Cc1ccc(CC(=O)NC(C)C)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide?
The InChIKey is UCMWEEXFWPLFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11(2)17-15(19)10-13-8-7-12(3)14(9-13)22(20,21)18-16(4,5)6/h7-9,11,18H,10H2,1-6H3,(H,17,19).
What are the key properties of 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide?
2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide has a molecular weight of 326.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 159113600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).