3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide

C14H22N2O3S — CID 46236928

IUPAC3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyDANSMPOIRWMPCA-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.20
Rot. Bonds5

About 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide

3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide (PubChem CID 46236928) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide
PubChem CID46236928
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyDANSMPOIRWMPCA-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N4-Acetylsulfanilamide
CID 8482
N-Acetylsulfanilyl chloride
CID 8481
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Potassium 4-acetoacetylaminobenzenesulphonate
CID 23674215
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474
2-cyano-N-(4-sulfamoylphenyl)acetamide
CID 2357187
Benzenesulfonyl fluoride, 4-(acetylamino)-
CID 67608
2,2,2-trifluoro-N-(4-sulfamoylphenyl)acetamide
CID 235259
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide (CID 46236928) is 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide is CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is DANSMPOIRWMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)13(10(3)4)14(17)16-11-5-7-12(8-6-11)20(15,18)19/h5-10,13H,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide?
3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 46236928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).