(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide

C19H24N2O2S — CID 92503136

IUPAC(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccs1
InChIInChI=1S/C19H24N2O2S/c1-2-23-17-11-6-5-9-15(17)20-19(22)21-13-7-3-4-10-16(21)18-12-8-14-24-18/h5-6,8-9,11-12,14,16H,2-4,7,10,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyPMRDIKDPFGXOLF-MRXNPFEDSA-N
MW344.48 g/mol
LogP5.30
Rot. Bonds4

About (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide

(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide (PubChem CID 92503136) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
PubChem CID92503136
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccs1
InChIInChI=1S/C19H24N2O2S/c1-2-23-17-11-6-5-9-15(17)20-19(22)21-13-7-3-4-10-16(21)18-12-8-14-24-18/h5-6,8-9,11-12,14,16H,2-4,7,10,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyPMRDIKDPFGXOLF-MRXNPFEDSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
N-(2-ethoxyphenyl)-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90632987
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503100
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide (CID 92503136) is (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The InChIKey is PMRDIKDPFGXOLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-23-17-11-6-5-9-15(17)20-19(22)21-13-7-3-4-10-16(21)18-12-8-14-24-18/h5-6,8-9,11-12,14,16H,2-4,7,10,13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide is sourced from PubChem (CID 92503136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).