(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide

C19H24N2OS — CID 92503119

IUPAC(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
SMILESCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2C)s1
InChIInChI=1S/C19H24N2OS/c1-14-8-5-6-9-16(14)20-19(22)21-13-7-3-4-10-17(21)18-12-11-15(2)23-18/h5-6,8-9,11-12,17H,3-4,7,10,13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyPMSWYKGYTYOIFW-QGZVFWFLSA-N
MW328.48 g/mol
LogP5.51
Rot. Bonds2

About (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide

(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide (PubChem CID 92503119) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
PubChem CID92503119
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
SMILESCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2C)s1
InChIInChI=1S/C19H24N2OS/c1-14-8-5-6-9-16(14)20-19(22)21-13-7-3-4-10-17(21)18-12-11-15(2)23-18/h5-6,8-9,11-12,17H,3-4,7,10,13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyPMSWYKGYTYOIFW-QGZVFWFLSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503171
2-(5-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 22586911
2-(5-methylthiophen-2-yl)-N-phenylazepane-1-carboxamide
CID 22586847
(2R)-N-(3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503091
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 22586897
(2S)-N-(3-fluoro-4-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503204
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methylphenyl)azepane-1-carboxamide
CID 75473868
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177
ethyl 2-[[(2R)-2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]acetate
CID 92503186
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide (CID 92503119) is (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide is Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2C)s1.
What is the InChIKey of (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide?
The InChIKey is PMSWYKGYTYOIFW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-8-5-6-9-16(14)20-19(22)21-13-7-3-4-10-17(21)18-12-11-15(2)23-18/h5-6,8-9,11-12,17H,3-4,7,10,13H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide?
(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 92503119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).