N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide

C16H17FN2O3S3 — CID 60594204

IUPACN-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(F)c1
InChIInChI=1S/C16H17FN2O3S3/c1-11-2-3-13(12(17)10-11)18-16(20)15-14(4-7-24-15)25(21,22)19-5-8-23-9-6-19/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,20)
InChIKeyHGCGZBYIXPJRIK-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.19
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide

N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 60594204) has the molecular formula C16H17FN2O3S3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID60594204
Molecular FormulaC16H17FN2O3S3
Molecular Weight400.52 g/mol
Exact Mass400.04
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(F)c1
InChIInChI=1S/C16H17FN2O3S3/c1-11-2-3-13(12(17)10-11)18-16(20)15-14(4-7-24-15)25(21,22)19-5-8-23-9-6-19/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,20)
InChIKeyHGCGZBYIXPJRIK-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665731
N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076852
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethoxy-4-methylphenyl)thiophene-2-carboxamide
CID 112846299
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 167886194
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 53076938
N-(2-methylpiperidin-3-yl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 120575277
methyl 4-chloro-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate
CID 46808049
methyl 2-methyl-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate
CID 24684191

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide (CID 60594204) is N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is HGCGZBYIXPJRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S3/c1-11-2-3-13(12(17)10-11)18-16(20)15-14(4-7-24-15)25(21,22)19-5-8-23-9-6-19/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,20).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 60594204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).