N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide

C24H26N2O4S2 — CID 55386902

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-16-4-6-19(7-5-16)22-12-13-31-23(22)24(27)25-20-8-10-21(11-9-20)32(28,29)26-14-17(2)30-18(3)15-26/h4-13,17-18H,14-15H2,1-3H3,(H,25,27)
InChIKeyIDEABSPTMWYZBN-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.77
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 55386902) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID55386902
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-16-4-6-19(7-5-16)22-12-13-31-23(22)24(27)25-20-8-10-21(11-9-20)32(28,29)26-14-17(2)30-18(3)15-26/h4-13,17-18H,14-15H2,1-3H3,(H,25,27)
InChIKeyIDEABSPTMWYZBN-UHFFFAOYSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
methyl 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 46616141
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51152560
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
CID 110826197
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide
CID 31302164

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 55386902) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is IDEABSPTMWYZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-16-4-6-19(7-5-16)22-12-13-31-23(22)24(27)25-20-8-10-21(11-9-20)32(28,29)26-14-17(2)30-18(3)15-26/h4-13,17-18H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55386902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).