4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C25H29N3O4S2 — CID 24816698

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(c3cccs3)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-19-5-11-22(12-6-19)34(30,31)27(2)21-9-7-20(8-10-21)25(29)26-18-23(24-4-3-17-33-24)28-13-15-32-16-14-28/h3-12,17,23H,13-16,18H2,1-2H3,(H,26,29)
InChIKeyFILNMVVJBFSDHU-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.68
Rot. Bonds8

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 24816698) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID24816698
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(c3cccs3)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-19-5-11-22(12-6-19)34(30,31)27(2)21-9-7-20(8-10-21)25(29)26-18-23(24-4-3-17-33-24)28-13-15-32-16-14-28/h3-12,17,23H,13-16,18H2,1-2H3,(H,26,29)
InChIKeyFILNMVVJBFSDHU-UHFFFAOYSA-N
XLogP3.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 24816698) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(c3cccs3)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is FILNMVVJBFSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-19-5-11-22(12-6-19)34(30,31)27(2)21-9-7-20(8-10-21)25(29)26-18-23(24-4-3-17-33-24)28-13-15-32-16-14-28/h3-12,17,23H,13-16,18H2,1-2H3,(H,26,29).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 499.66 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24816698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).