(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide

C19H24N2O3S — CID 92503207

IUPAC(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c(OC)c1
InChIInChI=1S/C19H24N2O3S/c1-23-14-9-10-15(17(13-14)24-2)20-19(22)21-11-5-3-4-7-16(21)18-8-6-12-25-18/h6,8-10,12-13,16H,3-5,7,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyGLTCKDBYWLVENR-INIZCTEOSA-N
MW360.48 g/mol
LogP4.91
Rot. Bonds4

About (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide

(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide (PubChem CID 92503207) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
PubChem CID92503207
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c(OC)c1
InChIInChI=1S/C19H24N2O3S/c1-23-14-9-10-15(17(13-14)24-2)20-19(22)21-11-5-3-4-7-16(21)18-8-6-12-25-18/h6,8-10,12-13,16H,3-5,7,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyGLTCKDBYWLVENR-INIZCTEOSA-N
XLogP4.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136
N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17415661
N-(2,4-dimethoxyphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446731
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503100
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500032
N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586894
(2R)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 52766431
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
(1R)-N-(2,4-dimethoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589992
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide (CID 92503207) is (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide is COc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c(OC)c1.
What is the InChIKey of (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The InChIKey is GLTCKDBYWLVENR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-23-14-9-10-15(17(13-14)24-2)20-19(22)21-11-5-3-4-7-16(21)18-8-6-12-25-18/h6,8-10,12-13,16H,3-5,7,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide is sourced from PubChem (CID 92503207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).