N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C23H24N2O5S2 — CID 53101562

IUPACN-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-2-30-20-8-6-19(7-9-20)24-23(26)18-5-3-4-17(16-18)21-10-11-22(31-21)32(27,28)25-12-14-29-15-13-25/h3-11,16H,2,12-15H2,1H3,(H,24,26)
InChIKeyFBVAIEFSXXMRSA-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.09
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101562) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101562
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC NameN-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-2-30-20-8-6-19(7-9-20)24-23(26)18-5-3-4-17(16-18)21-10-11-22(31-21)32(27,28)25-12-14-29-15-13-25/h3-11,16H,2,12-15H2,1H3,(H,24,26)
InChIKeyFBVAIEFSXXMRSA-UHFFFAOYSA-N
XLogP4.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101574
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 95082138
N-(1,3-benzodioxol-5-yl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101425
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101455
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126355286

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 53101562) is N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is CCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is FBVAIEFSXXMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-2-30-20-8-6-19(7-9-20)24-23(26)18-5-3-4-17(16-18)21-10-11-22(31-21)32(27,28)25-12-14-29-15-13-25/h3-11,16H,2,12-15H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).