2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N2O3S2 — CID 51146576

IUPAC2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-12-3-7-15(8-4-12)23-11-17(20)19-13(2)14-5-9-16(10-6-14)24(18,21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyNDUWVGCLLCUGBO-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.61
Rot. Bonds6

About 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 51146576) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID51146576
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-12-3-7-15(8-4-12)23-11-17(20)19-13(2)14-5-9-16(10-6-14)24(18,21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyNDUWVGCLLCUGBO-UHFFFAOYSA-N
XLogP2.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 9373222
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899
2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633335
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3-hydroxy-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43238806
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146585

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 51146576) is 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(SCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is NDUWVGCLLCUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-3-7-15(8-4-12)23-11-17(20)19-13(2)14-5-9-16(10-6-14)24(18,21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 51146576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).