2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide

C31H26N2O3S2 — CID 21168898

IUPAC2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H26N2O3S2/c1-22-11-19-29(20-12-22)38(35,36)33-26-15-17-28(18-16-26)37-30(24-8-3-2-4-9-24)31(34)32-27-14-13-23-7-5-6-10-25(23)21-27/h2-21,30,33H,1H3,(H,32,34)
InChIKeyNARXIGQCWVUVEK-UHFFFAOYSA-N
MW538.69 g/mol
LogP7.42
Rot. Bonds8

About 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide (PubChem CID 21168898) has the molecular formula C31H26N2O3S2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
PubChem CID21168898
Molecular FormulaC31H26N2O3S2
Molecular Weight538.69 g/mol
Exact Mass538.14
IUPAC Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H26N2O3S2/c1-22-11-19-29(20-12-22)38(35,36)33-26-15-17-28(18-16-26)37-30(24-8-3-2-4-9-24)31(34)32-27-14-13-23-7-5-6-10-25(23)21-27/h2-21,30,33H,1H3,(H,32,34)
InChIKeyNARXIGQCWVUVEK-UHFFFAOYSA-N
XLogP7.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 23095708
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21169527
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 19316789
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide (CID 21168898) is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
The InChIKey is NARXIGQCWVUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O3S2/c1-22-11-19-29(20-12-22)38(35,36)33-26-15-17-28(18-16-26)37-30(24-8-3-2-4-9-24)31(34)32-27-14-13-23-7-5-6-10-25(23)21-27/h2-21,30,33H,1H3,(H,32,34).
What are the key properties of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide?
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide has a molecular weight of 538.69 g/mol, XLogP of 7.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide is sourced from PubChem (CID 21168898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).