N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide

C15H15N3O2S — CID 57046607

IUPACN-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(S)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(19)16-13-7-9-14(10-8-13)18(21)15(20)17-12-5-3-2-4-6-12/h2-10,21H,1H3,(H,16,19)(H,17,20)
InChIKeyHYKNWVZTHFASNX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.53
Rot. Bonds3

About N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide

N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide (PubChem CID 57046607) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
PubChem CID57046607
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(S)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(19)16-13-7-9-14(10-8-13)18(21)15(20)17-12-5-3-2-4-6-12/h2-10,21H,1H3,(H,16,19)(H,17,20)
InChIKeyHYKNWVZTHFASNX-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.53
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-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57262089
N-[4-[(4-acetamidophenyl)carbamoyl-sulfanylamino]-2-chlorophenyl]benzamide
CID 57049260
1-(4-anilinophenyl)-3-methyl-1-sulfanylurea
CID 88795730
3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
CID 57164193
cobalt;N-phenylacetamide
CID 158689050
N-[4-[[3-chloro-4-(trifluoromethyl)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57061867
N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57166144
N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 56994150
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-[[2-(benzylamino)-4-methoxyphenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57267742
acetyl bromide;N-phenylacetamide
CID 175285562
N-[4-[(3-chloro-4-piperidin-1-ylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57178259

Frequently Asked Questions

What is the IUPAC name of N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide (CID 57046607) is N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(S)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide?
The InChIKey is HYKNWVZTHFASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(19)16-13-7-9-14(10-8-13)18(21)15(20)17-12-5-3-2-4-6-12/h2-10,21H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide?
N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide is sourced from PubChem (CID 57046607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).