N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide

C15H14ClN3O2S — CID 57262089

IUPACN-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(S)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)17-12-5-7-14(8-6-12)19(22)15(21)18-13-4-2-3-11(16)9-13/h2-9,22H,1H3,(H,17,20)(H,18,21)
InChIKeyQFODJMDOMRYKMC-UHFFFAOYSA-N
MW335.82 g/mol
LogP4.18
Rot. Bonds3

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

N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide (PubChem CID 57262089) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
PubChem CID57262089
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(S)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)17-12-5-7-14(8-6-12)19(22)15(21)18-13-4-2-3-11(16)9-13/h2-9,22H,1H3,(H,17,20)(H,18,21)
InChIKeyQFODJMDOMRYKMC-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-[4-[[3-chloro-4-(trifluoromethyl)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57061867
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 56994150
3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
CID 57164193
N-[4-[[3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57184489
N-[4-[(3-chloro-4-methylphenyl)carbamoyl-sulfanylamino]phenyl]-2,6-difluorobenzamide
CID 57291327
3-(3-chlorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 27871674
N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
amino-[(3-chlorophenyl)carbamoyl]carbamic acid
CID 69123745
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide (CID 57262089) is N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(S)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The InChIKey is QFODJMDOMRYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10(20)17-12-5-7-14(8-6-12)19(22)15(21)18-13-4-2-3-11(16)9-13/h2-9,22H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide has a molecular weight of 335.82 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide is sourced from PubChem (CID 57262089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).