N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C17H25N3O2S — CID 51084945

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C1CCCCCN1CCNC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C17H25N3O2S/c21-16-8-2-1-3-10-19(16)12-9-18-17(22)20-11-4-6-14(20)15-7-5-13-23-15/h5,7,13-14H,1-4,6,8-12H2,(H,18,22)
InChIKeyFIHRUEJRYDGBLQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 51084945) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID51084945
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C1CCCCCN1CCNC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C17H25N3O2S/c21-16-8-2-1-3-10-19(16)12-9-18-17(22)20-11-4-6-14(20)15-7-5-13-23-15/h5,7,13-14H,1-4,6,8-12H2,(H,18,22)
InChIKeyFIHRUEJRYDGBLQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95133730
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
1-[2-(2-oxoazepan-1-yl)ethyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94161198
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 51084945) is N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C1CCCCCN1CCNC(=O)N1CCCC1c1cccs1.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is FIHRUEJRYDGBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16-8-2-1-3-10-19(16)12-9-18-17(22)20-11-4-6-14(20)15-7-5-13-23-15/h5,7,13-14H,1-4,6,8-12H2,(H,18,22).
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51084945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).