N-octyl-2-(2-phenylethylamino)ethanesulfonamide

C18H32N2O2S — CID 45479968

IUPACN-octyl-2-(2-phenylethylamino)ethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNCCc1ccccc1
InChIInChI=1S/C18H32N2O2S/c1-2-3-4-5-6-10-14-20-23(21,22)17-16-19-15-13-18-11-8-7-9-12-18/h7-9,11-12,19-20H,2-6,10,13-17H2,1H3
InChIKeyMKSFRRMPGFANFG-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.10
Rot. Bonds14

About N-octyl-2-(2-phenylethylamino)ethanesulfonamide

N-octyl-2-(2-phenylethylamino)ethanesulfonamide (PubChem CID 45479968) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is N-octyl-2-(2-phenylethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-octyl-2-(2-phenylethylamino)ethanesulfonamide
PubChem CID45479968
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC NameN-octyl-2-(2-phenylethylamino)ethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNCCc1ccccc1
InChIInChI=1S/C18H32N2O2S/c1-2-3-4-5-6-10-14-20-23(21,22)17-16-19-15-13-18-11-8-7-9-12-18/h7-9,11-12,19-20H,2-6,10,13-17H2,1H3
InChIKeyMKSFRRMPGFANFG-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
3-ethylsulfonyl-N-(2-phenylethyl)propan-1-amine
CID 65094242
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-octadecylpropane-1-sulfonamide
CID 88827291
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
dodecylbenzene;2-hydroxyethylsulfamic acid
CID 21496838
4-[2-(hexadecylsulfonylamino)ethyl]benzoic acid
CID 12945832

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(2-phenylethylamino)ethanesulfonamide?
The IUPAC name of N-octyl-2-(2-phenylethylamino)ethanesulfonamide (CID 45479968) is N-octyl-2-(2-phenylethylamino)ethanesulfonamide.
What is the SMILES notation for N-octyl-2-(2-phenylethylamino)ethanesulfonamide?
The canonical SMILES for N-octyl-2-(2-phenylethylamino)ethanesulfonamide is CCCCCCCCNS(=O)(=O)CCNCCc1ccccc1.
What is the InChIKey of N-octyl-2-(2-phenylethylamino)ethanesulfonamide?
The InChIKey is MKSFRRMPGFANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-2-3-4-5-6-10-14-20-23(21,22)17-16-19-15-13-18-11-8-7-9-12-18/h7-9,11-12,19-20H,2-6,10,13-17H2,1H3.
What are the key properties of N-octyl-2-(2-phenylethylamino)ethanesulfonamide?
N-octyl-2-(2-phenylethylamino)ethanesulfonamide has a molecular weight of 340.53 g/mol, XLogP of 3.10, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(2-phenylethylamino)ethanesulfonamide is sourced from PubChem (CID 45479968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).