N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide

C22H30N2O2S — CID 110301837

IUPACN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(C(CNC(=O)CCc2cccs2)N2CCCCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-26-19-10-8-18(9-11-19)21(24-14-4-2-3-5-15-24)17-23-22(25)13-12-20-7-6-16-27-20/h6-11,16,21H,2-5,12-15,17H2,1H3,(H,23,25)
InChIKeyJHIGRQYYIWNUQA-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.42
Rot. Bonds8

About N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110301837) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110301837
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(C(CNC(=O)CCc2cccs2)N2CCCCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-26-19-10-8-18(9-11-19)21(24-14-4-2-3-5-15-24)17-23-22(25)13-12-20-7-6-16-27-20/h6-11,16,21H,2-5,12-15,17H2,1H3,(H,23,25)
InChIKeyJHIGRQYYIWNUQA-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 43005713
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111291900
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987876
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24544215
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 110301837) is N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide is COc1ccc(C(CNC(=O)CCc2cccs2)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is JHIGRQYYIWNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-26-19-10-8-18(9-11-19)21(24-14-4-2-3-5-15-24)17-23-22(25)13-12-20-7-6-16-27-20/h6-11,16,21H,2-5,12-15,17H2,1H3,(H,23,25).
What are the key properties of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 386.56 g/mol, XLogP of 4.42, 8 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]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110301837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).