N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide

C24H25N3O4S — CID 86296892

IUPACN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H25N3O4S/c1-17-6-7-20(26-24(28)19-4-3-5-21(14-19)32(2,29)30)16-22(17)18-8-9-25-23(15-18)27-10-12-31-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,26,28)
InChIKeyOYRCPJFWDDYQRG-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.55
Rot. Bonds5

About N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide

N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide (PubChem CID 86296892) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
PubChem CID86296892
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H25N3O4S/c1-17-6-7-20(26-24(28)19-4-3-5-21(14-19)32(2,29)30)16-22(17)18-8-9-25-23(15-18)27-10-12-31-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,26,28)
InChIKeyOYRCPJFWDDYQRG-UHFFFAOYSA-N
XLogP3.55
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4'-[(Cyclopropylmethyl)carbamoyl]-6-Methylbiphenyl-3-Yl}-2-Morpholin-4-Ylpyridine-4-Carboxamide
CID 24856364
n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide
CID 10831510
N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-methylsulfonylbenzamide
CID 86295454
4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86296698
2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 86296890
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
CID 86296894
3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]benzamide
CID 86297090
N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 90442628
N-[4-methyl-3-[2-(3-oxomorpholin-4-yl)pyridin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 117610051
N-(4-methylpyridin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 1087730

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide (CID 86296892) is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide?
The InChIKey is OYRCPJFWDDYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-17-6-7-20(26-24(28)19-4-3-5-21(14-19)32(2,29)30)16-22(17)18-8-9-25-23(15-18)27-10-12-31-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,26,28).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide?
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide has a molecular weight of 451.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 86296892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).