N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide

C16H28N2O2S — CID 63202001

IUPACN-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
SMILESCCCNC(Cc1ccccc1S(=O)(=O)NCC)C(C)C
InChIInChI=1S/C16H28N2O2S/c1-5-11-17-15(13(3)4)12-14-9-7-8-10-16(14)21(19,20)18-6-2/h7-10,13,15,17-18H,5-6,11-12H2,1-4H3
InChIKeyMDVLBNUTKROXND-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.55
Rot. Bonds9

About N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide

N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide (PubChem CID 63202001) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
PubChem CID63202001
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
SMILESCCCNC(Cc1ccccc1S(=O)(=O)NCC)C(C)C
InChIInChI=1S/C16H28N2O2S/c1-5-11-17-15(13(3)4)12-14-9-7-8-10-16(14)21(19,20)18-6-2/h7-10,13,15,17-18H,5-6,11-12H2,1-4H3
InChIKeyMDVLBNUTKROXND-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312
2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide
CID 63205325
2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
CID 63352995
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
CID 63200608
N-ethyl-2-iodobenzenesulfonamide
CID 626580
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
N,3-dimethyl-1-[2-(trifluoromethylsulfonyl)phenyl]butan-2-amine
CID 63202218
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide (CID 63202001) is N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide is CCCNC(Cc1ccccc1S(=O)(=O)NCC)C(C)C.
What is the InChIKey of N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide?
The InChIKey is MDVLBNUTKROXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-11-17-15(13(3)4)12-14-9-7-8-10-16(14)21(19,20)18-6-2/h7-10,13,15,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide?
N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide is sourced from PubChem (CID 63202001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).