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

C17H20N2O4S2 — CID 25434857

IUPAC3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O4S2/c1-12-3-4-14(18-17(20)16-13(2)5-10-24-16)11-15(12)25(21,22)19-6-8-23-9-7-19/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
InChIKeyRJYBKFQUHJHVEK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.64
Rot. Bonds4

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

3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 25434857) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID25434857
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O4S2/c1-12-3-4-14(18-17(20)16-13(2)5-10-24-16)11-15(12)25(21,22)19-6-8-23-9-7-19/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
InChIKeyRJYBKFQUHJHVEK-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
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N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
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N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
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3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
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CID 9183588
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
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4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (CID 25434857) is 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is RJYBKFQUHJHVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-12-3-4-14(18-17(20)16-13(2)5-10-24-16)11-15(12)25(21,22)19-6-8-23-9-7-19/h3-5,10-11H,6-9H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.64, 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-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25434857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).