N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C23H24N2O6S2 — CID 53101455

IUPACN-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)c(OC)c1
InChIInChI=1S/C23H24N2O6S2/c1-29-18-7-8-19(20(15-18)30-2)24-23(26)17-5-3-16(4-6-17)21-9-10-22(32-21)33(27,28)25-11-13-31-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,24,26)
InChIKeyOZEGIOXTWIIDSL-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.71
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101455) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101455
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)c(OC)c1
InChIInChI=1S/C23H24N2O6S2/c1-29-18-7-8-19(20(15-18)30-2)24-23(26)17-5-3-16(4-6-17)21-9-10-22(32-21)33(27,28)25-11-13-31-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,24,26)
InChIKeyOZEGIOXTWIIDSL-UHFFFAOYSA-N
XLogP3.71
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 53101455) is N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is OZEGIOXTWIIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-29-18-7-8-19(20(15-18)30-2)24-23(26)17-5-3-16(4-6-17)21-9-10-22(32-21)33(27,28)25-11-13-31-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 488.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).