N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide

C13H11ClN2OS2 — CID 62972039

IUPACN-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)s1)c1cccc(C(N)=S)c1
InChIInChI=1S/C13H11ClN2OS2/c1-16(13(17)10-5-6-11(14)19-10)9-4-2-3-8(7-9)12(15)18/h2-7H,1H3,(H2,15,18)
InChIKeyZEPGRDYHSLBJPX-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.31
Rot. Bonds3

About N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide

N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide (PubChem CID 62972039) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide
PubChem CID62972039
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC NameN-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)s1)c1cccc(C(N)=S)c1
InChIInChI=1S/C13H11ClN2OS2/c1-16(13(17)10-5-6-11(14)19-10)9-4-2-3-8(7-9)12(15)18/h2-7H,1H3,(H2,15,18)
InChIKeyZEPGRDYHSLBJPX-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-carbamothioylphenyl)-N-methylthiophene-2-carboxamide
CID 62972030
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-(3-carbamothioylphenyl)-3,4-dichloro-N-methylbenzamide
CID 62969759
N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703258
N-(3-carbamothioylphenyl)-2-chloro-3-fluoro-N-methylbenzamide
CID 81453831
2-bromo-N-(3-carbamothioylphenyl)-4-chloro-N-methylbenzamide
CID 107987798
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625
N-(3-carbamothioylphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55141561
5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide
CID 62969760
N-(3-carbamothioylphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 62970121

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide (CID 62972039) is N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(Cl)s1)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide?
The InChIKey is ZEPGRDYHSLBJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c1-16(13(17)10-5-6-11(14)19-10)9-4-2-3-8(7-9)12(15)18/h2-7H,1H3,(H2,15,18).
What are the key properties of N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide?
N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 62972039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).