2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

C24H26N2O4S2 — CID 30385415

IUPAC2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C24H26N2O4S2/c1-17(2)26-32(28,29)19-13-14-22(30-3)21(15-19)25-24(27)20-11-7-8-12-23(20)31-16-18-9-5-4-6-10-18/h4-15,17,26H,16H2,1-3H3,(H,25,27)
InChIKeyIPCUIFYLJHKFRC-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.93
Rot. Bonds9

About 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 30385415) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID30385415
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C24H26N2O4S2/c1-17(2)26-32(28,29)19-13-14-22(30-3)21(15-19)25-24(27)20-11-7-8-12-23(20)31-16-18-9-5-4-6-10-18/h4-15,17,26H,16H2,1-3H3,(H,25,27)
InChIKeyIPCUIFYLJHKFRC-UHFFFAOYSA-N
XLogP4.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
CID 46764322
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylmethoxybenzamide
CID 43908166
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 28579384
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(methylsulfanylmethyl)benzamide
CID 24635975

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 30385415) is 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is IPCUIFYLJHKFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-17(2)26-32(28,29)19-13-14-22(30-3)21(15-19)25-24(27)20-11-7-8-12-23(20)31-16-18-9-5-4-6-10-18/h4-15,17,26H,16H2,1-3H3,(H,25,27).
What are the key properties of 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 470.62 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 30385415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).