N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide

C16H28N2O2S — CID 61014351

IUPACN-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC(C)CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-4-18(21(3,19)20)14-8-13-17-15(2)11-12-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3
InChIKeyZZLPCFPRACXAMB-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.27
Rot. Bonds10

About N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide (PubChem CID 61014351) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
PubChem CID61014351
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC(C)CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-4-18(21(3,19)20)14-8-13-17-15(2)11-12-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3
InChIKeyZZLPCFPRACXAMB-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide 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-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172555
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
CID 103522177
3-(diethylsulfamoylamino)butylbenzene
CID 86915461
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
CID 61013782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide (CID 61014351) is N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide is CCN(CCCNC(C)CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide?
The InChIKey is ZZLPCFPRACXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-18(21(3,19)20)14-8-13-17-15(2)11-12-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3.
What are the key properties of N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 61014351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).