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

C25H28FN3O4S2 — CID 25252699

IUPAC3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccsc1C(=O)Nc1c(C)cc(C)c(N2CCOCC2)c1C
InChIInChI=1S/C25H28FN3O4S2/c1-15-14-19(26)5-6-21(15)35(31,32)28-20-7-12-34-24(20)25(30)27-22-16(2)13-17(3)23(18(22)4)29-8-10-33-11-9-29/h5-7,12-14,28H,8-11H2,1-4H3,(H,27,30)
InChIKeyDRWRHSIFZLOBMD-UHFFFAOYSA-N
MW517.65 g/mol
LogP5.01
Rot. Bonds6

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

3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 25252699) has the molecular formula C25H28FN3O4S2 and a molecular weight of 517.65 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID25252699
Molecular FormulaC25H28FN3O4S2
Molecular Weight517.65 g/mol
Exact Mass517.15
IUPAC Name3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccsc1C(=O)Nc1c(C)cc(C)c(N2CCOCC2)c1C
InChIInChI=1S/C25H28FN3O4S2/c1-15-14-19(26)5-6-21(15)35(31,32)28-20-7-12-34-24(20)25(30)27-22-16(2)13-17(3)23(18(22)4)29-8-10-33-11-9-29/h5-7,12-14,28H,8-11H2,1-4H3,(H,27,30)
InChIKeyDRWRHSIFZLOBMD-UHFFFAOYSA-N
XLogP5.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 25252699) is 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccsc1C(=O)Nc1c(C)cc(C)c(N2CCOCC2)c1C.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is DRWRHSIFZLOBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S2/c1-15-14-19(26)5-6-21(15)35(31,32)28-20-7-12-34-24(20)25(30)27-22-16(2)13-17(3)23(18(22)4)29-8-10-33-11-9-29/h5-7,12-14,28H,8-11H2,1-4H3,(H,27,30).
What are the key properties of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 517.65 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25252699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).