N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C22H22N2O4S2 — CID 53101444

IUPACN-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-16-2-8-19(9-3-16)23-22(25)18-6-4-17(5-7-18)20-10-11-21(29-20)30(26,27)24-12-14-28-15-13-24/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyVWNUSIFFPHLHNV-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.00
Rot. Bonds5

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

N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101444) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101444
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-16-2-8-19(9-3-16)23-22(25)18-6-4-17(5-7-18)20-10-11-21(29-20)30(26,27)24-12-14-28-15-13-24/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyVWNUSIFFPHLHNV-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450
N-(1,3-benzodioxol-5-yl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101425
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101562
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101455
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101574
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101340
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 53101444) is N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is VWNUSIFFPHLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-16-2-8-19(9-3-16)23-22(25)18-6-4-17(5-7-18)20-10-11-21(29-20)30(26,27)24-12-14-28-15-13-24/h2-11H,12-15H2,1H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).