3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide

C21H29N3O5S2 — CID 55893631

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H29N3O5S2/c1-15-6-7-16(2)20(14-15)30(26,27)22-13-12-21(25)23-17(3)18-8-10-19(11-9-18)31(28,29)24(4)5/h6-11,14,17,22H,12-13H2,1-5H3,(H,23,25)
InChIKeyHAWQYBUBGPYEGY-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.10
Rot. Bonds9

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 55893631) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID55893631
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H29N3O5S2/c1-15-6-7-16(2)20(14-15)30(26,27)22-13-12-21(25)23-17(3)18-8-10-19(11-9-18)31(28,29)24(4)5/h6-11,14,17,22H,12-13H2,1-5H3,(H,23,25)
InChIKeyHAWQYBUBGPYEGY-UHFFFAOYSA-N
XLogP2.10
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55948237
2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
CID 55892993
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864416
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864417
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
CID 55894004
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 125062230
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]propanamide
CID 97070859
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide (CID 55893631) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is HAWQYBUBGPYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-15-6-7-16(2)20(14-15)30(26,27)22-13-12-21(25)23-17(3)18-8-10-19(11-9-18)31(28,29)24(4)5/h6-11,14,17,22H,12-13H2,1-5H3,(H,23,25).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 467.61 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55893631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).