3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

C24H25F2N3O4S2 — CID 25252696

IUPAC3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H25F2N3O4S2/c1-14-12-15(2)22(29-7-9-33-10-8-29)16(3)21(14)27-24(30)23-19(6-11-34-23)28-35(31,32)20-5-4-17(25)13-18(20)26/h4-6,11-13,28H,7-10H2,1-3H3,(H,27,30)
InChIKeyCEIRUBHKAINBOE-UHFFFAOYSA-N
MW521.61 g/mol
LogP4.84
Rot. Bonds6

About 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 25252696) has the molecular formula C24H25F2N3O4S2 and a molecular weight of 521.61 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID25252696
Molecular FormulaC24H25F2N3O4S2
Molecular Weight521.61 g/mol
Exact Mass521.13
IUPAC Name3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H25F2N3O4S2/c1-14-12-15(2)22(29-7-9-33-10-8-29)16(3)21(14)27-24(30)23-19(6-11-34-23)28-35(31,32)20-5-4-17(25)13-18(20)26/h4-6,11-13,28H,7-10H2,1-3H3,(H,27,30)
InChIKeyCEIRUBHKAINBOE-UHFFFAOYSA-N
XLogP4.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.61
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 25252696) is 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is CEIRUBHKAINBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4S2/c1-14-12-15(2)22(29-7-9-33-10-8-29)16(3)21(14)27-24(30)23-19(6-11-34-23)28-35(31,32)20-5-4-17(25)13-18(20)26/h4-6,11-13,28H,7-10H2,1-3H3,(H,27,30).
What are the key properties of 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 521.61 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25252696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).