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

C19H15ClN2O3S — CID 4503991

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2
InChIInChI=1S/C19H15ClN2O3S/c20-11-6-4-10(5-7-11)13-8-9-14(25-13)18(24)22-19-16(17(21)23)12-2-1-3-15(12)26-19/h4-9H,1-3H2,(H2,21,23)(H,22,24)
InChIKeyWSNUOQRRKYVVSB-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.50
Rot. Bonds4

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

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 4503991) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID4503991
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2
InChIInChI=1S/C19H15ClN2O3S/c20-11-6-4-10(5-7-11)13-8-9-14(25-13)18(24)22-19-16(17(21)23)12-2-1-3-15(12)26-19/h4-9H,1-3H2,(H2,21,23)(H,22,24)
InChIKeyWSNUOQRRKYVVSB-UHFFFAOYSA-N
XLogP4.50
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2983787
N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 40836905
methyl 2-[(5-chlorofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 103601770
2-[(2,3,6-trichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19171118
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 26020831
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
2-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727
2-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5215688

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide (CID 4503991) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide is NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is WSNUOQRRKYVVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-11-6-4-10(5-7-11)13-8-9-14(25-13)18(24)22-19-16(17(21)23)12-2-1-3-15(12)26-19/h4-9H,1-3H2,(H2,21,23)(H,22,24).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.50, 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-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 4503991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).