2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide

C28H26N2O4S2 — CID 21167345

IUPAC2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26N2O4S2/c1-20-8-18-27(19-9-20)36(32,33)30-23-12-16-26(17-13-23)35-21(2)28(31)29-22-10-14-25(15-11-22)34-24-6-4-3-5-7-24/h3-19,21,30H,1-2H3,(H,29,31)
InChIKeyLKRFNLONZYLWAP-UHFFFAOYSA-N
MW518.66 g/mol
LogP6.71
Rot. Bonds9

About 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide (PubChem CID 21167345) has the molecular formula C28H26N2O4S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
PubChem CID21167345
Molecular FormulaC28H26N2O4S2
Molecular Weight518.66 g/mol
Exact Mass518.13
IUPAC Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26N2O4S2/c1-20-8-18-27(19-9-20)36(32,33)30-23-12-16-26(17-13-23)35-21(2)28(31)29-22-10-14-25(15-11-22)34-24-6-4-3-5-7-24/h3-19,21,30H,1-2H3,(H,29,31)
InChIKeyLKRFNLONZYLWAP-UHFFFAOYSA-N
XLogP6.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 22781714
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126184839
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
(2S)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126187597
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 25045380
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 23095708
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide (CID 21167345) is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(SC(C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide?
The InChIKey is LKRFNLONZYLWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S2/c1-20-8-18-27(19-9-20)36(32,33)30-23-12-16-26(17-13-23)35-21(2)28(31)29-22-10-14-25(15-11-22)34-24-6-4-3-5-7-24/h3-19,21,30H,1-2H3,(H,29,31).
What are the key properties of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide?
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide has a molecular weight of 518.66 g/mol, XLogP of 6.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 21167345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).