2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane

C19H36N2O3S — CID 91132595

IUPAC2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane
SMILESCC.CCC(C)(C)C(=O)NS(=O)(=O)Nc1ccccc1.CCC(C)C
InChIInChI=1S/C12H18N2O3S.C5H12.C2H6/c1-4-12(2,3)11(15)14-18(16,17)13-10-8-6-5-7-9-10;1-4-5(2)3;1-2/h5-9,13H,4H2,1-3H3,(H,14,15);5H,4H2,1-3H3;1-2H3
InChIKeyOHOMXRRAFGICBM-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.97
Rot. Bonds6

About 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane

2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane (PubChem CID 91132595) has the molecular formula C19H36N2O3S and a molecular weight of 372.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane.

Molecular Properties

Compound Name2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane
PubChem CID91132595
Molecular FormulaC19H36N2O3S
Molecular Weight372.58 g/mol
Exact Mass372.24
IUPAC Name2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane
SMILESCC.CCC(C)(C)C(=O)NS(=O)(=O)Nc1ccccc1.CCC(C)C
InChIInChI=1S/C12H18N2O3S.C5H12.C2H6/c1-4-12(2,3)11(15)14-18(16,17)13-10-8-6-5-7-9-10;1-4-5(2)3;1-2/h5-9,13H,4H2,1-3H3,(H,14,15);5H,4H2,1-3H3;1-2H3
InChIKeyOHOMXRRAFGICBM-UHFFFAOYSA-N
XLogP4.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylsulfonyl-2,2-dimethylbutanamide
CID 174337929
2,6-dimethyloctane;2,2-dimethyl-N-phenylbutanamide
CID 174845109
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
ethane;N-(methylsulfamoyl)aniline
CID 91119809
1-anilino-4-methylsulfonylpentan-3-one
CID 67960572
2,2-dimethyl-N-phenylbutanamide;5,5-dimethyl-1-phenylheptan-4-one;ethane
CID 159590223
4-(2,2-dimethylbutanoylamino)-4-phenylbutanoic acid
CID 62680099
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
4-[[(2S)-butan-2-yl]amino]-3-(phenylsulfamoyl)benzoic acid
CID 99980031
4-[[(2R)-butan-2-yl]amino]-3-(phenylsulfamoyl)benzoic acid
CID 99980027
N-(2-methylsulfonylpropyl)aniline
CID 104519124
2,2-dimethyl-N-phenacylbutanamide
CID 64991408

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane?
The IUPAC name of 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane (CID 91132595) is 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane.
What is the SMILES notation for 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane?
The canonical SMILES for 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane is CC.CCC(C)(C)C(=O)NS(=O)(=O)Nc1ccccc1.CCC(C)C.
What is the InChIKey of 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane?
The InChIKey is OHOMXRRAFGICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.C5H12.C2H6/c1-4-12(2,3)11(15)14-18(16,17)13-10-8-6-5-7-9-10;1-4-5(2)3;1-2/h5-9,13H,4H2,1-3H3,(H,14,15);5H,4H2,1-3H3;1-2H3.
What are the key properties of 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane?
2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane has a molecular weight of 372.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane is sourced from PubChem (CID 91132595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).