N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

C16H28N2O2S — CID 106031454

IUPACN-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CCNC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-16(4,5)18-21(19,20)15-9-7-14(8-10-15)11-12-17-13(2)3/h7-10,13,17-18H,6,11-12H2,1-5H3
InChIKeyROKKPVOENGAMPV-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.69
Rot. Bonds8

About N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 106031454) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID106031454
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CCNC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-16(4,5)18-21(19,20)15-9-7-14(8-10-15)11-12-17-13(2)3/h7-10,13,17-18H,6,11-12H2,1-5H3
InChIKeyROKKPVOENGAMPV-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide 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-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031297
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 47425286
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39371133
4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031479

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (CID 106031454) is N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(CCNC(C)C)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is ROKKPVOENGAMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-16(4,5)18-21(19,20)15-9-7-14(8-10-15)11-12-17-13(2)3/h7-10,13,17-18H,6,11-12H2,1-5H3.
What are the key properties of N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106031454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).