3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

C24H27N3O4S2 — CID 87603776

IUPAC3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H27N3O4S2/c1-16-15-17(2)22(27-10-12-31-13-11-27)18(3)21(16)25-24(28)23-20(9-14-32-23)26-33(29,30)19-7-5-4-6-8-19/h4-9,14-15,26H,10-13H2,1-3H3,(H,25,28)
InChIKeyRYWXXUWPKYHPJJ-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.56
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 87603776) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID87603776
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H27N3O4S2/c1-16-15-17(2)22(27-10-12-31-13-11-27)18(3)21(16)25-24(28)23-20(9-14-32-23)26-33(29,30)19-7-5-4-6-8-19/h4-9,14-15,26H,10-13H2,1-3H3,(H,25,28)
InChIKeyRYWXXUWPKYHPJJ-UHFFFAOYSA-N
XLogP4.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 25252988
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418
3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785127
3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785114
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604038
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125790
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643639

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 87603776) is 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is RYWXXUWPKYHPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-16-15-17(2)22(27-10-12-31-13-11-27)18(3)21(16)25-24(28)23-20(9-14-32-23)26-33(29,30)19-7-5-4-6-8-19/h4-9,14-15,26H,10-13H2,1-3H3,(H,25,28).
What are the key properties of 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 87603776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).