N-tert-butyl-2-(4-propylsulfonylanilino)acetamide

C15H24N2O3S — CID 115356865

IUPACN-tert-butyl-2-(4-propylsulfonylanilino)acetamide
SMILESCCCS(=O)(=O)c1ccc(NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-10-21(19,20)13-8-6-12(7-9-13)16-11-14(18)17-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyFCOQLLQZVIWTAT-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.20
Rot. Bonds6

About N-tert-butyl-2-(4-propylsulfonylanilino)acetamide

N-tert-butyl-2-(4-propylsulfonylanilino)acetamide (PubChem CID 115356865) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-tert-butyl-2-(4-propylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-propylsulfonylanilino)acetamide
PubChem CID115356865
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-tert-butyl-2-(4-propylsulfonylanilino)acetamide
SMILESCCCS(=O)(=O)c1ccc(NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-10-21(19,20)13-8-6-12(7-9-13)16-11-14(18)17-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyFCOQLLQZVIWTAT-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(4-propylsulfonylanilino)acetamide 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

N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
CID 115357166
2-(4-acetamidoanilino)-N-tert-butylacetamide
CID 28567256
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
N-butyl-4-propylsulfonylaniline
CID 43453437
N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
CID 43453436
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide
CID 79378081
2-(4-propylsulfonylanilino)oxyacetic acid
CID 113498190
2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
CID 78923640
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
CID 54811252
N-[(4-methylphenyl)methyl]-4-propylsulfonylaniline
CID 43453453

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-propylsulfonylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(4-propylsulfonylanilino)acetamide (CID 115356865) is N-tert-butyl-2-(4-propylsulfonylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-propylsulfonylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-propylsulfonylanilino)acetamide is CCCS(=O)(=O)c1ccc(NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-propylsulfonylanilino)acetamide?
The InChIKey is FCOQLLQZVIWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-10-21(19,20)13-8-6-12(7-9-13)16-11-14(18)17-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(4-propylsulfonylanilino)acetamide?
N-tert-butyl-2-(4-propylsulfonylanilino)acetamide has a molecular weight of 312.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-propylsulfonylanilino)acetamide is sourced from PubChem (CID 115356865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).