2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C18H17ClN2O2S — CID 7195551

IUPAC2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2
InChIInChI=1S/C18H17ClN2O2S/c1-20-17(23)16-12-6-4-8-14(12)24-18(16)21-15(22)10-9-11-5-2-3-7-13(11)19/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,20,23)(H,21,22)/b10-9+
InChIKeyQHGWWVDVBHOVAS-MDZDMXLPSA-N
MW360.87 g/mol
LogP3.90
Rot. Bonds4

About 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 7195551) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID7195551
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2
InChIInChI=1S/C18H17ClN2O2S/c1-20-17(23)16-12-6-4-8-14(12)24-18(16)21-15(22)10-9-11-5-2-3-7-13(11)19/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,20,23)(H,21,22)/b10-9+
InChIKeyQHGWWVDVBHOVAS-MDZDMXLPSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161
2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
CID 71457677
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
2-(3-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 704777
2-(2-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723141
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
N-[3-(2-chlorobenzoyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylpropanamide
CID 44288434
2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 702148
2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2087167
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 7195551) is 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2.
What is the InChIKey of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is QHGWWVDVBHOVAS-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-20-17(23)16-12-6-4-8-14(12)24-18(16)21-15(22)10-9-11-5-2-3-7-13(11)19/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,20,23)(H,21,22)/b10-9+.
What are the key properties of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 360.87 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 7195551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).