N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide

C22H30N2O2S — CID 35042114

IUPACN-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1
InChIInChI=1S/C22H30N2O2S/c1-2-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-3-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyMBMBJOUFZLAVSQ-LJQANCHMSA-N
MW386.56 g/mol
LogP4.88
Rot. Bonds8

About N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide

N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide (PubChem CID 35042114) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
PubChem CID35042114
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1
InChIInChI=1S/C22H30N2O2S/c1-2-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-3-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyMBMBJOUFZLAVSQ-LJQANCHMSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35340992
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide (CID 35042114) is N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide?
The InChIKey is MBMBJOUFZLAVSQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-2-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-3-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide?
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide has a molecular weight of 386.56 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide is sourced from PubChem (CID 35042114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).