2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

C26H24N2O3S2 — CID 1278407

IUPAC2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3S2/c1-19-7-2-3-9-21(19)17-32-18-26(29)27-22-13-15-23(16-14-22)33(30,31)28-25-12-6-10-20-8-4-5-11-24(20)25/h2-16,28H,17-18H2,1H3,(H,27,29)
InChIKeyJHOLTUMXQUZINI-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.82
Rot. Bonds8

About 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (PubChem CID 1278407) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
PubChem CID1278407
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3S2/c1-19-7-2-3-9-21(19)17-32-18-26(29)27-22-13-15-23(16-14-22)33(30,31)28-25-12-6-10-20-8-4-5-11-24(20)25/h2-16,28H,17-18H2,1H3,(H,27,29)
InChIKeyJHOLTUMXQUZINI-UHFFFAOYSA-N
XLogP5.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide
CID 22306554
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 28565285
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 126331771
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 1280042
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 55865738

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (CID 1278407) is 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JHOLTUMXQUZINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-19-7-2-3-9-21(19)17-32-18-26(29)27-22-13-15-23(16-14-22)33(30,31)28-25-12-6-10-20-8-4-5-11-24(20)25/h2-16,28H,17-18H2,1H3,(H,27,29).
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide has a molecular weight of 476.62 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1278407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).