N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide

C12H9ClN2O2S — CID 2833089

IUPACN-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1ccco1
InChIInChI=1S/C12H9ClN2O2S/c13-8-4-1-2-5-9(8)14-12(18)15-11(16)10-6-3-7-17-10/h1-7H,(H2,14,15,16,18)
InChIKeyAWEFIAYVGFZNOT-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.06
Rot. Bonds2

About N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide

N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 2833089) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide
PubChem CID2833089
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1ccco1
InChIInChI=1S/C12H9ClN2O2S/c13-8-4-1-2-5-9(8)14-12(18)15-11(16)10-6-3-7-17-10/h1-7H,(H2,14,15,16,18)
InChIKeyAWEFIAYVGFZNOT-UHFFFAOYSA-N
XLogP3.06
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)furan-2-carboxamide
CID 790315
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
N-(3-chlorophenyl)furan-2-carboxamide
CID 282652
1-(2-Chlorophenyl)-3-(furan-2-ylmethyl)thiourea
CID 2796408
N-(4-chlorophenyl)-N'-(2-furylmethyl)thiourea
CID 841941
N-(4-amino-2-chlorophenyl)furan-2-carboxamide
CID 721121
Furan-2-carboxylic acid [2,2,2-trichloro-1-(3-m-tolyl-thioureido)-ethyl]-amide
CID 3094957
N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 669402
N-(2-ethoxyphenyl)-N'-(2-furoyl)thiourea
CID 1226907
N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
CID 2444301
N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 739340
N-[3-chloro-4-(piperidin-1-yl)phenyl]furan-2-carboxamide
CID 881651

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide (CID 2833089) is N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is AWEFIAYVGFZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-8-4-1-2-5-9(8)14-12(18)15-11(16)10-6-3-7-17-10/h1-7H,(H2,14,15,16,18).
What are the key properties of N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide?
N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 280.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 2833089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).