N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C22H27N3O3S — CID 1329133

IUPACN-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)cc1
InChIInChI=1S/C22H27N3O3S/c1-2-28-16-10-8-15(9-11-16)23-21(27)20-17-6-5-7-18(17)29-22(20)24-19(26)14-25-12-3-4-13-25/h8-11H,2-7,12-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyICIOCDGZWWHDTR-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.92
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 1329133) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID1329133
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)cc1
InChIInChI=1S/C22H27N3O3S/c1-2-28-16-10-8-15(9-11-16)23-21(27)20-17-6-5-7-18(17)29-22(20)24-19(26)14-25-12-3-4-13-25/h8-11H,2-7,12-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyICIOCDGZWWHDTR-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 1329133) is N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ICIOCDGZWWHDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-2-28-16-10-8-15(9-11-16)23-21(27)20-17-6-5-7-18(17)29-22(20)24-19(26)14-25-12-3-4-13-25/h8-11H,2-7,12-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1329133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).