N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide

C17H20N2O3S3 — CID 60593967

IUPACN-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H20N2O3S3/c1-2-13-3-5-14(6-4-13)18-17(20)16-15(7-10-24-16)25(21,22)19-8-11-23-12-9-19/h3-7,10H,2,8-9,11-12H2,1H3,(H,18,20)
InChIKeyPDHYGOVKLIHDRF-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.30
Rot. Bonds5

About N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide

N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 60593967) has the molecular formula C17H20N2O3S3 and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID60593967
Molecular FormulaC17H20N2O3S3
Molecular Weight396.56 g/mol
Exact Mass396.06
IUPAC NameN-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H20N2O3S3/c1-2-13-3-5-14(6-4-13)18-17(20)16-15(7-10-24-16)25(21,22)19-8-11-23-12-9-19/h3-7,10H,2,8-9,11-12H2,1H3,(H,18,20)
InChIKeyPDHYGOVKLIHDRF-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55614476
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60594204
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55714996
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 37400093

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide (CID 60593967) is N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide is CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is PDHYGOVKLIHDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S3/c1-2-13-3-5-14(6-4-13)18-17(20)16-15(7-10-24-16)25(21,22)19-8-11-23-12-9-19/h3-7,10H,2,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 60593967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).