5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

C22H21FN2O4S2 — CID 46408534

IUPAC5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H21FN2O4S2/c1-15-6-7-16(14-21(15)31(27,28)25-10-12-29-13-11-25)24-22(26)20-9-8-19(30-20)17-4-2-3-5-18(17)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyJNSPGKGJYYSXRF-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.14
Rot. Bonds5

About 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 46408534) has the molecular formula C22H21FN2O4S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID46408534
Molecular FormulaC22H21FN2O4S2
Molecular Weight460.55 g/mol
Exact Mass460.09
IUPAC Name5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H21FN2O4S2/c1-15-6-7-16(14-21(15)31(27,28)25-10-12-29-13-11-25)24-22(26)20-9-8-19(30-20)17-4-2-3-5-18(17)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyJNSPGKGJYYSXRF-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 55615367
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24503051
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4068986
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55909628
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (CID 46408534) is 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is JNSPGKGJYYSXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S2/c1-15-6-7-16(14-21(15)31(27,28)25-10-12-29-13-11-25)24-22(26)20-9-8-19(30-20)17-4-2-3-5-18(17)23/h2-9,14H,10-13H2,1H3,(H,24,26).
What are the key properties of 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46408534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).