N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide

C21H28N2O2S — CID 16931779

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(c2ccsc2)N2CCCCCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-25-19-8-6-17(7-9-19)14-21(24)22-15-20(18-10-13-26-16-18)23-11-4-2-3-5-12-23/h6-10,13,16,20H,2-5,11-12,14-15H2,1H3,(H,22,24)
InChIKeyUSLKXMIYLMNPNQ-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16931779) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID16931779
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(c2ccsc2)N2CCCCCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-25-19-8-6-17(7-9-19)14-21(24)22-15-20(18-10-13-26-16-18)23-11-4-2-3-5-12-23/h6-10,13,16,20H,2-5,11-12,14-15H2,1H3,(H,22,24)
InChIKeyUSLKXMIYLMNPNQ-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931623
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methylphenoxy)acetamide
CID 16931891
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide (CID 16931779) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(c2ccsc2)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is USLKXMIYLMNPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-25-19-8-6-17(7-9-19)14-21(24)22-15-20(18-10-13-26-16-18)23-11-4-2-3-5-12-23/h6-10,13,16,20H,2-5,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 372.53 g/mol, XLogP of 4.03, 7 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-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16931779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).