2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C19H19ClN2O2S — CID 71450467

IUPAC2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)NCC1CC1)CCC2)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c20-14-6-2-1-4-12(14)17(23)22-19-16(13-5-3-7-15(13)25-19)18(24)21-10-11-8-9-11/h1-2,4,6,11H,3,5,7-10H2,(H,21,24)(H,22,23)
InChIKeyPXPAGYRDCRNGQA-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.28
Rot. Bonds5

About 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 71450467) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID71450467
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)NCC1CC1)CCC2)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c20-14-6-2-1-4-12(14)17(23)22-19-16(13-5-3-7-15(13)25-19)18(24)21-10-11-8-9-11/h1-2,4,6,11H,3,5,7-10H2,(H,21,24)(H,22,23)
InChIKeyPXPAGYRDCRNGQA-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 71450467) is 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(Nc1sc2c(c1C(=O)NCC1CC1)CCC2)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is PXPAGYRDCRNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-14-6-2-1-4-12(14)17(23)22-19-16(13-5-3-7-15(13)25-19)18(24)21-10-11-8-9-11/h1-2,4,6,11H,3,5,7-10H2,(H,21,24)(H,22,23).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 71450467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).