4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide

C23H24N2O4S3 — CID 11294744

IUPAC4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
SMILESCSc1ccc(-c2ccc(S(=O)(=O)Nc3cscc3CC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H24N2O4S3/c1-30-20-6-2-17(3-7-20)18-4-8-21(9-5-18)32(27,28)24-22-16-31-15-19(22)14-23(26)25-10-12-29-13-11-25/h2-9,15-16,24H,10-14H2,1H3
InChIKeyTVBNDLRHEIJWGN-UHFFFAOYSA-N
MW488.66 g/mol
LogP4.34
Rot. Bonds7

About 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide

4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 11294744) has the molecular formula C23H24N2O4S3 and a molecular weight of 488.66 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
PubChem CID11294744
Molecular FormulaC23H24N2O4S3
Molecular Weight488.66 g/mol
Exact Mass488.09
IUPAC Name4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
SMILESCSc1ccc(-c2ccc(S(=O)(=O)Nc3cscc3CC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H24N2O4S3/c1-30-20-6-2-17(3-7-20)18-4-8-21(9-5-18)32(27,28)24-22-16-31-15-19(22)14-23(26)25-10-12-29-13-11-25/h2-9,15-16,24H,10-14H2,1H3
InChIKeyTVBNDLRHEIJWGN-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
CID 10151681
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 10127500
N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 10174476
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
CID 11719465
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
CID 22027960
N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
CID 10173201
4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
CID 87050646
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11455323
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide (CID 11294744) is 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide is CSc1ccc(-c2ccc(S(=O)(=O)Nc3cscc3CC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is TVBNDLRHEIJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S3/c1-30-20-6-2-17(3-7-20)18-4-8-21(9-5-18)32(27,28)24-22-16-31-15-19(22)14-23(26)25-10-12-29-13-11-25/h2-9,15-16,24H,10-14H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 488.66 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 11294744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).