N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide

C13H10ClN3O3S — CID 174484378

IUPACN-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide
SMILESNC(=O)N(C(=O)c1ccc(-c2ccccc2Cl)o1)C(N)=S
InChIInChI=1S/C13H10ClN3O3S/c14-8-4-2-1-3-7(8)9-5-6-10(20-9)11(18)17(12(15)19)13(16)21/h1-6H,(H2,15,19)(H2,16,21)
InChIKeyUIXSREFFTKMQFP-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.36
Rot. Bonds2

About N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide

N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide (PubChem CID 174484378) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide
PubChem CID174484378
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC NameN-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide
SMILESNC(=O)N(C(=O)c1ccc(-c2ccccc2Cl)o1)C(N)=S
InChIInChI=1S/C13H10ClN3O3S/c14-8-4-2-1-3-7(8)9-5-6-10(20-9)11(18)17(12(15)19)13(16)21/h1-6H,(H2,15,19)(H2,16,21)
InChIKeyUIXSREFFTKMQFP-UHFFFAOYSA-N
XLogP2.36
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
5-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388273
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 86978030
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868
2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 72877931

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide (CID 174484378) is N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide is NC(=O)N(C(=O)c1ccc(-c2ccccc2Cl)o1)C(N)=S.
What is the InChIKey of N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide?
The InChIKey is UIXSREFFTKMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-8-4-2-1-3-7(8)9-5-6-10(20-9)11(18)17(12(15)19)13(16)21/h1-6H,(H2,15,19)(H2,16,21).
What are the key properties of N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide?
N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide has a molecular weight of 323.76 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-N-carbamoyl-5-(2-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 174484378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).