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

C16H16N2OS — CID 62387543

IUPACN-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C16H16N2OS/c1-11-3-2-4-12(9-11)10-15(19)18-14-7-5-13(6-8-14)16(17)20/h2-9H,10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyFLQLJPYXLRMTOL-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.81
Rot. Bonds4

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

N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide (PubChem CID 62387543) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
PubChem CID62387543
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C16H16N2OS/c1-11-3-2-4-12(9-11)10-15(19)18-14-7-5-13(6-8-14)16(17)20/h2-9H,10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyFLQLJPYXLRMTOL-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.81
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)-3-(3-methylphenyl)propanamide
CID 62365344
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-(3-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720231
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide (CID 62387543) is N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(C(N)=S)cc2)c1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide?
The InChIKey is FLQLJPYXLRMTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-3-2-4-12(9-11)10-15(19)18-14-7-5-13(6-8-14)16(17)20/h2-9H,10H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide?
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 62387543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).