N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide

C16H17N3O2S — CID 70625915

IUPACN-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(NC(C)=O)c(N)c2)cc1
InChIInChI=1S/C16H17N3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-14-7-8-16(15(17)9-14)19-11(2)21/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVBDUYKVJNQTUDT-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.34
Rot. Bonds4

About N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide

N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide (PubChem CID 70625915) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
PubChem CID70625915
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(NC(C)=O)c(N)c2)cc1
InChIInChI=1S/C16H17N3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-14-7-8-16(15(17)9-14)19-11(2)21/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVBDUYKVJNQTUDT-UHFFFAOYSA-N
XLogP3.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 79825462
N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
CID 70626300
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
CID 67040240
N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide
CID 102818363
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide (CID 70625915) is N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc(NC(C)=O)c(N)c2)cc1.
What is the InChIKey of N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide?
The InChIKey is VBDUYKVJNQTUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-14-7-8-16(15(17)9-14)19-11(2)21/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide?
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 70625915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).