N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine

C19H30N2O3S — CID 55905246

IUPACN-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)S(=O)(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C19H30N2O3S/c1-5-7-13-21(14-8-6-2)25(22,23)20(4)16(3)19-15-17-11-9-10-12-18(17)24-19/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyDSKIDZURVWOWAQ-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.57
Rot. Bonds10

About N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine (PubChem CID 55905246) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
PubChem CID55905246
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)S(=O)(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C19H30N2O3S/c1-5-7-13-21(14-8-6-2)25(22,23)20(4)16(3)19-15-17-11-9-10-12-18(17)24-19/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyDSKIDZURVWOWAQ-UHFFFAOYSA-N
XLogP4.57
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
CID 51933578
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
CID 134001049
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 25488118
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
CID 46452657
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine (CID 55905246) is N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine is CCCCN(CCCC)S(=O)(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine?
The InChIKey is DSKIDZURVWOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-7-13-21(14-8-6-2)25(22,23)20(4)16(3)19-15-17-11-9-10-12-18(17)24-19/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine has a molecular weight of 366.53 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine is sourced from PubChem (CID 55905246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).