2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C17H18Cl2N2O3S2 — CID 35352252

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S2/c1-12-2-5-14(6-3-12)26(23,24)21-9-8-20-17(22)11-25-16-10-13(18)4-7-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyKJOSNVABPMWBFK-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.49
Rot. Bonds8

About 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 35352252) has the molecular formula C17H18Cl2N2O3S2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID35352252
Molecular FormulaC17H18Cl2N2O3S2
Molecular Weight433.38 g/mol
Exact Mass432.01
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S2/c1-12-2-5-14(6-3-12)26(23,24)21-9-8-20-17(22)11-25-16-10-13(18)4-7-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyKJOSNVABPMWBFK-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35353776
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
2-chloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
1-[2-(4-chlorophenoxy)ethyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 36506005

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 35352252) is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CSc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is KJOSNVABPMWBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S2/c1-12-2-5-14(6-3-12)26(23,24)21-9-8-20-17(22)11-25-16-10-13(18)4-7-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 433.38 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 35352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).