N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C19H14Cl2N2O3S — CID 2983787

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2
InChIInChI=1S/C19H14Cl2N2O3S/c20-9-4-5-10(12(21)8-9)13-6-7-14(26-13)18(25)23-19-16(17(22)24)11-2-1-3-15(11)27-19/h4-8H,1-3H2,(H2,22,24)(H,23,25)
InChIKeyXZDHBVYQFZXRKP-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.15
Rot. Bonds4

About N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 2983787) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID2983787
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2
InChIInChI=1S/C19H14Cl2N2O3S/c20-9-4-5-10(12(21)8-9)13-6-7-14(26-13)18(25)23-19-16(17(22)24)11-2-1-3-15(11)27-19/h4-8H,1-3H2,(H2,22,24)(H,23,25)
InChIKeyXZDHBVYQFZXRKP-UHFFFAOYSA-N
XLogP5.15
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4503991
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 1325870
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1326184
2-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17111625
2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18864002
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17117840
2-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093886
2-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5215688
2-[(2,3,6-trichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19171118
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 167904060
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 4503672

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 2983787) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is XZDHBVYQFZXRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c20-9-4-5-10(12(21)8-9)13-6-7-14(26-13)18(25)23-19-16(17(22)24)11-2-1-3-15(11)27-19/h4-8H,1-3H2,(H2,22,24)(H,23,25).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2983787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).