N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide

C16H15ClN2OS — CID 62309826

IUPACN-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2OS/c17-14-7-3-11(4-8-14)9-15(20)19-10-12-1-5-13(6-2-12)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyDXXNKVLAHINOTF-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.83
Rot. Bonds5

About N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide

N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide (PubChem CID 62309826) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
PubChem CID62309826
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2OS/c17-14-7-3-11(4-8-14)9-15(20)19-10-12-1-5-13(6-2-12)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyDXXNKVLAHINOTF-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.83
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

N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
N-[(3-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309839
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 63613033
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
CID 62309444
N-[(4-carbamothioylphenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 62309633
2-(4-carbamothioylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 63611673
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide (CID 62309826) is N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide is NC(=S)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is DXXNKVLAHINOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-14-7-3-11(4-8-14)9-15(20)19-10-12-1-5-13(6-2-12)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide?
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 62309826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).