N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide

C23H23ClFN3O4S2 — CID 25221827

IUPACN-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCc1cc(Cl)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23ClFN3O4S2/c1-14-13-18(24)21(28-8-10-32-11-9-28)15(2)20(14)26-23(29)22-19(7-12-33-22)27-34(30,31)17-5-3-16(25)4-6-17/h3-7,12-13,27H,8-11H2,1-2H3,(H,26,29)
InChIKeyVKLMNVHOGICSHM-UHFFFAOYSA-N
MW524.04 g/mol
LogP5.05
Rot. Bonds6

About N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide

N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 25221827) has the molecular formula C23H23ClFN3O4S2 and a molecular weight of 524.04 g/mol. Its IUPAC name is N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID25221827
Molecular FormulaC23H23ClFN3O4S2
Molecular Weight524.04 g/mol
Exact Mass523.08
IUPAC NameN-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCc1cc(Cl)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23ClFN3O4S2/c1-14-13-18(24)21(28-8-10-32-11-9-28)15(2)20(14)26-23(29)22-19(7-12-33-22)27-34(30,31)17-5-3-16(25)4-6-17/h3-7,12-13,27H,8-11H2,1-2H3,(H,26,29)
InChIKeyVKLMNVHOGICSHM-UHFFFAOYSA-N
XLogP5.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.04
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide (CID 25221827) is N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide is Cc1cc(Cl)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is VKLMNVHOGICSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O4S2/c1-14-13-18(24)21(28-8-10-32-11-9-28)15(2)20(14)26-23(29)22-19(7-12-33-22)27-34(30,31)17-5-3-16(25)4-6-17/h3-7,12-13,27H,8-11H2,1-2H3,(H,26,29).
What are the key properties of N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 524.04 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-dimethyl-3-morpholin-4-ylphenyl)-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 25221827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).