(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide

C19H24N2OS — CID 92503165

IUPAC(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccs1
InChIInChI=1S/C19H24N2OS/c1-2-15-9-5-6-10-16(15)20-19(22)21-13-7-3-4-11-17(21)18-12-8-14-23-18/h5-6,8-10,12,14,17H,2-4,7,11,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyIRYIDAVXVSLPTO-KRWDZBQOSA-N
MW328.48 g/mol
LogP5.46
Rot. Bonds3

About (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide

(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide (PubChem CID 92503165) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
PubChem CID92503165
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccs1
InChIInChI=1S/C19H24N2OS/c1-2-15-9-5-6-10-16(15)20-19(22)21-13-7-3-4-11-17(21)18-12-8-14-23-18/h5-6,8-10,12,14,17H,2-4,7,11,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyIRYIDAVXVSLPTO-KRWDZBQOSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
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
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586894
N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 56825846
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The IUPAC name of (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide (CID 92503165) is (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The canonical SMILES for (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide is CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The InChIKey is IRYIDAVXVSLPTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-15-9-5-6-10-16(15)20-19(22)21-13-7-3-4-11-17(21)18-12-8-14-23-18/h5-6,8-10,12,14,17H,2-4,7,11,13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide is sourced from PubChem (CID 92503165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).