N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide

C14H14N2O3S2 — CID 2901650

IUPACN-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=S)NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H14N2O3S2/c1-18-9-5-6-10(11(8-9)19-2)15-14(20)16-13(17)12-4-3-7-21-12/h3-8H,1-2H3,(H2,15,16,17,20)
InChIKeyRKOGDQRZICJWLS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds4

About N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide

N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 2901650) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID2901650
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=S)NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H14N2O3S2/c1-18-9-5-6-10(11(8-9)19-2)15-14(20)16-13(17)12-4-3-7-21-12/h3-8H,1-2H3,(H2,15,16,17,20)
InChIKeyRKOGDQRZICJWLS-UHFFFAOYSA-N
XLogP2.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 1496159
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17104933
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 834971
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
3-bromo-N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 1018544
N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 22778332
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455
N-[2-methoxy-4-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 17104937
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide (CID 2901650) is N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide is COc1ccc(NC(=S)NC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is RKOGDQRZICJWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-18-9-5-6-10(11(8-9)19-2)15-14(20)16-13(17)12-4-3-7-21-12/h3-8H,1-2H3,(H2,15,16,17,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 2901650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).