4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide

C18H22N2O4S2 — CID 1246818

IUPAC4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1C
InChIInChI=1S/C18H22N2O4S2/c1-3-16-13(2)25-12-17(16)18(21)19-14-4-6-15(7-5-14)26(22,23)20-8-10-24-11-9-20/h4-7,12H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyJYGPYOBLNWKPSV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.89
Rot. Bonds5

About 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide

4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide (PubChem CID 1246818) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
PubChem CID1246818
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1C
InChIInChI=1S/C18H22N2O4S2/c1-3-16-13(2)25-12-17(16)18(21)19-14-4-6-15(7-5-14)26(22,23)20-8-10-24-11-9-20/h4-7,12H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyJYGPYOBLNWKPSV-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4791406
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
N-(4-fluorophenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1252955
N-[4-(4-morpholinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 653867

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide (CID 1246818) is 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide is CCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
The InChIKey is JYGPYOBLNWKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-16-13(2)25-12-17(16)18(21)19-14-4-6-15(7-5-14)26(22,23)20-8-10-24-11-9-20/h4-7,12H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 1246818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).