N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide

C13H11ClN2OS2 — CID 19187838

IUPACN-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C13H11ClN2OS2/c1-8-7-9(14)4-5-10(8)15-13(18)16-12(17)11-3-2-6-19-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyWSSSRMCOLJMVCR-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.84
Rot. Bonds2

About N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide

N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 19187838) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID19187838
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC NameN-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C13H11ClN2OS2/c1-8-7-9(14)4-5-10(8)15-13(18)16-12(17)11-3-2-6-19-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyWSSSRMCOLJMVCR-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.84
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-[(5-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4937653
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807897
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1342504
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 978365
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 4593422
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 1334183
4-chloro-3-(thiophene-2-carbonylcarbamothioylamino)benzoate
CID 6953019

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide (CID 19187838) is N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide is Cc1cc(Cl)ccc1NC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is WSSSRMCOLJMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c1-8-7-9(14)4-5-10(8)15-13(18)16-12(17)11-3-2-6-19-11/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 19187838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).