N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide

C15H14ClN3O3S — CID 57166144

IUPACN-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(S)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClN3O3S/c1-9(20)17-11-3-5-12(6-4-11)19(23)15(22)18-13-8-10(16)2-7-14(13)21/h2-8,21,23H,1H3,(H,17,20)(H,18,22)
InChIKeySKRJTDSNBIDLIM-UHFFFAOYSA-N
MW351.82 g/mol
LogP3.89
Rot. Bonds3

About N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide

N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide (PubChem CID 57166144) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
PubChem CID57166144
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(S)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClN3O3S/c1-9(20)17-11-3-5-12(6-4-11)19(23)15(22)18-13-8-10(16)2-7-14(13)21/h2-8,21,23H,1H3,(H,17,20)(H,18,22)
InChIKeySKRJTDSNBIDLIM-UHFFFAOYSA-N
XLogP3.89
TPSA81.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57262089
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894768
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607
N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57222382
N-[4-[[3-chloro-4-(trifluoromethyl)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57061867
N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 56994150
N-[4-[(4-acetamidophenyl)carbamoyl-sulfanylamino]-2-chlorophenyl]benzamide
CID 57049260
N-[4-[(3-chloro-4-piperidin-1-ylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57178259
N-[4-[[3-chloro-4-(2-hydroxyethoxy)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57074482
N'-(5-chloro-2-hydroxyphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508697
1-(5-chloro-2-hydroxyphenyl)-1-sulfanyl-3-[4-(trifluoromethyl)phenyl]urea
CID 87656350

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide (CID 57166144) is N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(S)C(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The InChIKey is SKRJTDSNBIDLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9(20)17-11-3-5-12(6-4-11)19(23)15(22)18-13-8-10(16)2-7-14(13)21/h2-8,21,23H,1H3,(H,17,20)(H,18,22).
What are the key properties of N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide has a molecular weight of 351.82 g/mol, XLogP of 3.89, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide is sourced from PubChem (CID 57166144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).