2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide

C14H11Cl3N2OS — CID 43298970

IUPAC2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3N2OS/c15-10-5-12(17)13(6-11(10)16)19-14(20)7-21-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyIHPGXBCFCNDQNB-UHFFFAOYSA-N
MW361.68 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide

2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 43298970) has the molecular formula C14H11Cl3N2OS and a molecular weight of 361.68 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID43298970
Molecular FormulaC14H11Cl3N2OS
Molecular Weight361.68 g/mol
Exact Mass359.97
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3N2OS/c15-10-5-12(17)13(6-11(10)16)19-14(20)7-21-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyIHPGXBCFCNDQNB-UHFFFAOYSA-N
XLogP4.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.68
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
methyl 2-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4,6-dichlorobenzoate
CID 54154831
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
N-(4-amino-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384636
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 113244525
N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
CID 114258787

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide (CID 43298970) is 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is IHPGXBCFCNDQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2OS/c15-10-5-12(17)13(6-11(10)16)19-14(20)7-21-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 361.68 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 43298970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).