4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide

C21H19N3O3S — CID 67040240

IUPAC4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Sc3ccc(O)cc3)c(N)c2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13(25)23-15-4-2-14(3-5-15)21(27)24-16-6-11-20(19(22)12-16)28-18-9-7-17(26)8-10-18/h2-12,26H,22H2,1H3,(H,23,25)(H,24,27)
InChIKeySRULIIACHCVJOQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.34
Rot. Bonds5

About 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide

4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide (PubChem CID 67040240) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
PubChem CID67040240
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Sc3ccc(O)cc3)c(N)c2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13(25)23-15-4-2-14(3-5-15)21(27)24-16-6-11-20(19(22)12-16)28-18-9-7-17(26)8-10-18/h2-12,26H,22H2,1H3,(H,23,25)(H,24,27)
InChIKeySRULIIACHCVJOQ-UHFFFAOYSA-N
XLogP4.34
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]sulfanylphenyl]benzamide
CID 162701118
N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide
CID 66808611
N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]-2-chloro-4-(trifluoromethyl)benzamide
CID 67040728
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
methyl 4-(2-amino-4-hydroxyphenyl)sulfanylbenzoate
CID 91879833
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
N-[4-[2-amino-4-(cyanomethoxy)phenyl]sulfanylphenyl]acetamide
CID 67249992
1-[3-amino-4-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 82177453
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide?
The IUPAC name of 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide (CID 67040240) is 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(Sc3ccc(O)cc3)c(N)c2)cc1.
What is the InChIKey of 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide?
The InChIKey is SRULIIACHCVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13(25)23-15-4-2-14(3-5-15)21(27)24-16-6-11-20(19(22)12-16)28-18-9-7-17(26)8-10-18/h2-12,26H,22H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide?
4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide is sourced from PubChem (CID 67040240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).