3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

C16H18N2O4S2 — CID 25161927

IUPAC3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-6-11-23-15(12)16(19)17-13-2-4-14(5-3-13)24(20,21)18-7-9-22-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19)
InChIKeyHIXFFFPHGQOAFD-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.33
Rot. Bonds4

About 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 25161927) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID25161927
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-6-11-23-15(12)16(19)17-13-2-4-14(5-3-13)24(20,21)18-7-9-22-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19)
InChIKeyHIXFFFPHGQOAFD-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
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
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-(3-Fluorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1238883
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1312252
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
N-(4-Fluorophenyl)-4-(piperidine-1-sulfonyl)thiophene-2-carboxamide
CID 1252955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (CID 25161927) is 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is HIXFFFPHGQOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-6-11-23-15(12)16(19)17-13-2-4-14(5-3-13)24(20,21)18-7-9-22-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25161927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).