5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide

C15H20N2O4S3 — CID 24581157

IUPAC5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C15H20N2O4S3/c1-4-12-5-8-14(9-6-12)23(18,19)16-11-13-7-10-15(22-13)24(20,21)17(2)3/h5-10,16H,4,11H2,1-3H3
InChIKeyASSYCJONSFEBAD-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.04
Rot. Bonds7

About 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 24581157) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID24581157
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC Name5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C15H20N2O4S3/c1-4-12-5-8-14(9-6-12)23(18,19)16-11-13-7-10-15(22-13)24(20,21)17(2)3/h5-10,16H,4,11H2,1-3H3
InChIKeyASSYCJONSFEBAD-UHFFFAOYSA-N
XLogP2.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581138
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
5-bromo-2-chloro-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]pyridine-3-sulfonamide
CID 55904903
5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 43242482
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 24581157) is 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1.
What is the InChIKey of 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is ASSYCJONSFEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-4-12-5-8-14(9-6-12)23(18,19)16-11-13-7-10-15(22-13)24(20,21)17(2)3/h5-10,16H,4,11H2,1-3H3.
What are the key properties of 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 388.54 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 24581157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).