N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

C20H26N2O2S — CID 17011758

IUPACN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccs2)N2CCCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-24-17-10-8-16(9-11-17)18(22-12-4-2-3-5-13-22)15-21-20(23)19-7-6-14-25-19/h6-11,14,18H,2-5,12-13,15H2,1H3,(H,21,23)
InChIKeyWROQKXBJICAENS-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 17011758) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID17011758
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccs2)N2CCCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-24-17-10-8-16(9-11-17)18(22-12-4-2-3-5-13-22)15-21-20(23)19-7-6-14-25-19/h6-11,14,18H,2-5,12-13,15H2,1H3,(H,21,23)
InChIKeyWROQKXBJICAENS-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016694
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844516
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 17011758) is N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(C(CNC(=O)c2cccs2)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is WROQKXBJICAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-24-17-10-8-16(9-11-17)18(22-12-4-2-3-5-13-22)15-21-20(23)19-7-6-14-25-19/h6-11,14,18H,2-5,12-13,15H2,1H3,(H,21,23).
What are the key properties of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17011758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).