N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide

C16H26N2O3S — CID 3391312

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-15(2,3)11-14(19)17-12-7-9-13(10-8-12)22(20,21)18-16(4,5)6/h7-10,18H,11H2,1-6H3,(H,17,19)
InChIKeyMDRKOVQDYYKYMC-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.14
Rot. Bonds4

About N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide

N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 3391312) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
PubChem CID3391312
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-15(2,3)11-14(19)17-12-7-9-13(10-8-12)22(20,21)18-16(4,5)6/h7-10,18H,11H2,1-6H3,(H,17,19)
InChIKeyMDRKOVQDYYKYMC-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
methyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate
CID 5199846
ethyl 3-[4-(tert-butylsulfamoyl)anilino]-3-oxopropanoate
CID 17097498
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 3252934
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
[2-(4-bromoanilino)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate
CID 31656164
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide (CID 3391312) is N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is MDRKOVQDYYKYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-15(2,3)11-14(19)17-12-7-9-13(10-8-12)22(20,21)18-16(4,5)6/h7-10,18H,11H2,1-6H3,(H,17,19).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 326.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 3391312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).