N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

C20H23NO2S — CID 71717423

IUPACN-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)C1CCCCC1
InChIInChI=1S/C20H23NO2S/c1-21(15-7-3-2-4-8-15)20(22)18-13-14-11-12-23-17-10-6-5-9-16(17)19(14)24-18/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3
InChIKeyRUHHXJQKGOCGPA-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.75
Rot. Bonds2

About N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide (PubChem CID 71717423) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
PubChem CID71717423
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)C1CCCCC1
InChIInChI=1S/C20H23NO2S/c1-21(15-7-3-2-4-8-15)20(22)18-13-14-11-12-23-17-10-6-5-9-16(17)19(14)24-18/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3
InChIKeyRUHHXJQKGOCGPA-UHFFFAOYSA-N
XLogP4.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16095383
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AZ-Mtab, >=98% (hplc)
CID 49765077
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
[4-(2-Methoxyphenyl)piperidino](2-thienyl)methanone
CID 574275
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 16035583
N-(2,4-difluorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
CID 44242493
N,N-Diethyl-5-(spiro[chromene-2,4''-piperidine]-4-yl)thiophene-2-carboxamide
CID 44254058
N,N-Diethyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)thiophene-2-carboxamide
CID 44254060
5-(2-Fluoro-3-methoxyphenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56649596
7-[4-[3-(Diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56672398
N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
CID 56680186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide (CID 71717423) is N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
The InChIKey is RUHHXJQKGOCGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-21(15-7-3-2-4-8-15)20(22)18-13-14-11-12-23-17-10-6-5-9-16(17)19(14)24-18/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide is sourced from PubChem (CID 71717423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).