2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide

C16H15ClN2OS — CID 63589257

IUPAC2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H15ClN2OS/c1-10-13(17)3-2-4-14(10)19-15(20)9-11-5-7-12(8-6-11)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyDAOGRKUYSILHKV-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide

2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 63589257) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID63589257
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H15ClN2OS/c1-10-13(17)3-2-4-14(10)19-15(20)9-11-5-7-12(8-6-11)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyDAOGRKUYSILHKV-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[(3-chloro-2-methylphenyl)carbamothioylamino]acetamide
CID 54277983
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 7825839
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide (CID 63589257) is 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is DAOGRKUYSILHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10-13(17)3-2-4-14(10)19-15(20)9-11-5-7-12(8-6-11)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide?
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 318.83 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 63589257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).