N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide

C15H14ClN3OS — CID 3608346

IUPACN-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN3OS/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyHSYYYNWGRYHCCO-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.11
Rot. Bonds3

About N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide

N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide (PubChem CID 3608346) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
PubChem CID3608346
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC NameN-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN3OS/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyHSYYYNWGRYHCCO-UHFFFAOYSA-N
XLogP4.11
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954830
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
N-[2-[(3-chlorophenyl)carbamothioylamino]ethyl]acetamide
CID 3872004
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678469
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamothioylamino]-4-methylphenyl]thiourea
CID 6481333

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide (CID 3608346) is N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide?
The InChIKey is HSYYYNWGRYHCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide?
N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide has a molecular weight of 319.82 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 3608346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).