(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide

C19H18ClNO3S — CID 97011801

IUPAC(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCOC2)sc2c1CCC2
InChIInChI=1S/C19H18ClNO3S/c20-13-6-4-11(5-7-13)17(22)16-14-2-1-3-15(14)25-19(16)21-18(23)12-8-9-24-10-12/h4-7,12H,1-3,8-10H2,(H,21,23)/t12-/m1/s1
InChIKeyAMMGKPWHPCHKLC-GFCCVEGCSA-N
MW375.88 g/mol
LogP4.10
Rot. Bonds4

About (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide

(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide (PubChem CID 97011801) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide
PubChem CID97011801
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCOC2)sc2c1CCC2
InChIInChI=1S/C19H18ClNO3S/c20-13-6-4-11(5-7-13)17(22)16-14-2-1-3-15(14)25-19(16)21-18(23)12-8-9-24-10-12/h4-7,12H,1-3,8-10H2,(H,21,23)/t12-/m1/s1
InChIKeyAMMGKPWHPCHKLC-GFCCVEGCSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-dioxane-2-carboxamide
CID 119032282
2-(oxolane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447723
N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide
CID 75404406
2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 827845
2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2912562
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
3-N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-1,3-dicarboxamide
CID 135187041
methyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16861652
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 902348
N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxane-4-carboxamide
CID 31967351
N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 135187046
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide (CID 97011801) is (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide is O=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCOC2)sc2c1CCC2.
What is the InChIKey of (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide?
The InChIKey is AMMGKPWHPCHKLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c20-13-6-4-11(5-7-13)17(22)16-14-2-1-3-15(14)25-19(16)21-18(23)12-8-9-24-10-12/h4-7,12H,1-3,8-10H2,(H,21,23)/t12-/m1/s1.
What are the key properties of (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide?
(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 97011801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).