[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

C17H20N2O5S2 — CID 18283523

IUPAC[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCCc1ccc(CN(C)C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-3-12-4-6-13(7-5-12)9-19(2)15(20)10-24-17(21)14-8-16(25-11-14)26(18,22)23/h4-8,11H,3,9-10H2,1-2H3,(H2,18,22,23)
InChIKeyNBIQXUYBVDZEEP-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.77
Rot. Bonds7

About [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 18283523) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID18283523
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCCc1ccc(CN(C)C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-3-12-4-6-13(7-5-12)9-19(2)15(20)10-24-17(21)14-8-16(25-11-14)26(18,22)23/h4-8,11H,3,9-10H2,1-2H3,(H2,18,22,23)
InChIKeyNBIQXUYBVDZEEP-UHFFFAOYSA-N
XLogP1.77
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531127
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 51270529
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 27894234
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 55529218
N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 62223262
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 55398268
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836568
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845193
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346463
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (CID 18283523) is [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is CCc1ccc(CN(C)C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is NBIQXUYBVDZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-3-12-4-6-13(7-5-12)9-19(2)15(20)10-24-17(21)14-8-16(25-11-14)26(18,22)23/h4-8,11H,3,9-10H2,1-2H3,(H2,18,22,23).
What are the key properties of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 18283523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).