2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium

C18H32N3O3S+ — CID 86308700

IUPAC2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)N(CCS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C18H31N3O3S/c1-5-20(6-2)13-12-19-18(22)21(16(3)4)14-15-25(23,24)17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,22)/p+1
InChIKeyOSTGVQSWUXGHKL-UHFFFAOYSA-O
MW370.54 g/mol
LogP0.81
Rot. Bonds10

About 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium

2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium (PubChem CID 86308700) has the molecular formula C18H32N3O3S+ and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium
PubChem CID86308700
Molecular FormulaC18H32N3O3S+
Molecular Weight370.54 g/mol
Exact Mass370.22
IUPAC Name2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)N(CCS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C18H31N3O3S/c1-5-20(6-2)13-12-19-18(22)21(16(3)4)14-15-25(23,24)17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,22)/p+1
InChIKeyOSTGVQSWUXGHKL-UHFFFAOYSA-O
XLogP0.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-4-[(phenylsulfonyl)methyl]-1,3-dihydro-2H-imidazol-2-one
CID 1489253
Suricainide maleate
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1,5-diethyl-4-[1-(phenylsulfonyl)ethyl]-1,3-dihydro-2H-imidazol-2-one
CID 2765972
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
Suricainide
CID 55304
N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 14855226
1-[2-(4-Benzenesulfonyl-piperidin-1-yl)-ethyl]-imidazolidin-2-one
CID 11099801
1-[2-(Benzenesulfinyl)ethyl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 71990038
5-[(1S)-1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
CID 1482630
5-[(1S)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one
CID 1489259
2-[2-(Benzenesulfonyl)ethyl-propan-2-ylamino]acetamide
CID 56810260
N-(tert-butyl)-4-((4-fluorophenyl)sulfonyl)piperidine-1-carboxamide
CID 71808834

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium (CID 86308700) is 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)N(CCS(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium?
The InChIKey is OSTGVQSWUXGHKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31N3O3S/c1-5-20(6-2)13-12-19-18(22)21(16(3)4)14-15-25(23,24)17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,22)/p+1.
What are the key properties of 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium?
2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium has a molecular weight of 370.54 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 86308700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).