N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide

C16H28N2O2S — CID 64586372

IUPACN-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C16H28N2O2S/c1-4-5-13-18(16-10-7-6-8-11-16)21(19,20)14-9-12-17-15(2)3/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3
InChIKeyVXAZDQHUGFDCFZ-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.01
Rot. Bonds10

About N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide

N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 64586372) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID64586372
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C16H28N2O2S/c1-4-5-13-18(16-10-7-6-8-11-16)21(19,20)14-9-12-17-15(2)3/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3
InChIKeyVXAZDQHUGFDCFZ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide 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-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
N-butyl-3-chloro-N-phenylpropane-1-sulfonamide
CID 43654480
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
N-butyl-N-phenylethenesulfonamide
CID 129322798
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
1-chloro-N-phenyl-N-propylmethanesulfonamide
CID 118574649
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62002866
4-cyano-N-ethyl-N-phenylbutane-1-sulfonamide
CID 28704824
N-butyl-N-dichloroboranylaniline
CID 71338608
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide (CID 64586372) is N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide is CCCCN(c1ccccc1)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is VXAZDQHUGFDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-5-13-18(16-10-7-6-8-11-16)21(19,20)14-9-12-17-15(2)3/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3.
What are the key properties of N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 64586372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).