N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide

C17H24N2O3S — CID 51933578

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
SMILESC[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C17H24N2O3S/c1-14(17-13-15-9-5-6-10-16(15)22-17)18(2)23(20,21)19-11-7-3-4-8-12-19/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyNWWAVWGMGWOIBL-AWEZNQCLSA-N
MW336.46 g/mol
LogP3.55
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide (PubChem CID 51933578) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
PubChem CID51933578
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
SMILESC[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C17H24N2O3S/c1-14(17-13-15-9-5-6-10-16(15)22-17)18(2)23(20,21)19-11-7-3-4-8-12-19/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyNWWAVWGMGWOIBL-AWEZNQCLSA-N
XLogP3.55
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
CID 61043938
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
CID 55905246
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 25488118
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
CID 46452657
3-pyrrolidin-1-ylsulfonylchromen-2-one
CID 22424872
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
CID 134001049
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate
CID 134002955
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
CID 126786259
N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 16563524
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide (CID 51933578) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide is C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide?
The InChIKey is NWWAVWGMGWOIBL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14(17-13-15-9-5-6-10-16(15)22-17)18(2)23(20,21)19-11-7-3-4-8-12-19/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 51933578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).