3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide

C19H24N2O3S — CID 38893159

IUPAC3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)15-9-11-17(12-10-15)25(23,24)21(14-13-18(20)22)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,20,22)
InChIKeyDRTKZVLSTXEUKD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.05
Rot. Bonds6

About 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide

3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide (PubChem CID 38893159) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide.

Molecular Properties

Compound Name3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
PubChem CID38893159
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)15-9-11-17(12-10-15)25(23,24)21(14-13-18(20)22)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,20,22)
InChIKeyDRTKZVLSTXEUKD-UHFFFAOYSA-N
XLogP3.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-(3,5-difluorophenyl)sulfonylanilino)propanamide
CID 38893186
3-(N-(2-bromo-4-methylphenyl)sulfonylanilino)propanamide
CID 38893058
N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 119523871
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
3-(N-(3-chloro-4-methyl-5-nitrophenyl)sulfonylanilino)propanamide
CID 38893102
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
CID 10388987
dimethyl-[(1R)-2-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-1-phenylethyl]azanium
CID 2577978
2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 166987972
2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
CID 14423402
3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
CID 47062841

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide?
The IUPAC name of 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide (CID 38893159) is 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide.
What is the SMILES notation for 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide?
The canonical SMILES for 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide is CC(C)(C)c1ccc(S(=O)(=O)N(CCC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide?
The InChIKey is DRTKZVLSTXEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)15-9-11-17(12-10-15)25(23,24)21(14-13-18(20)22)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,20,22).
What are the key properties of 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide?
3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide is sourced from PubChem (CID 38893159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).