N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide

C19H30N2O2S — CID 50968215

IUPACN-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C19H30N2O2S/c1-2-21(14-13-20-11-5-3-4-6-12-20)19(22)18-10-9-17(24-18)16-8-7-15-23-16/h9-10,16H,2-8,11-15H2,1H3
InChIKeyLGELZQDANAUKFC-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 50968215) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID50968215
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C19H30N2O2S/c1-2-21(14-13-20-11-5-3-4-6-12-20)19(22)18-10-9-17(24-18)16-8-7-15-23-16/h9-10,16H,2-8,11-15H2,1H3
InChIKeyLGELZQDANAUKFC-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
CID 45215784
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97153924
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155055
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155054
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 77086345
N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72925065
N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72886191
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 97111991

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 50968215) is N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide is CCN(CCN1CCCCCC1)C(=O)c1ccc(C2CCCO2)s1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is LGELZQDANAUKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-2-21(14-13-20-11-5-3-4-6-12-20)19(22)18-10-9-17(24-18)16-8-7-15-23-16/h9-10,16H,2-8,11-15H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 50968215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).