2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide

C38H41N3O10S4 — CID 68901123

IUPAC2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C21H21NO5S2.C17H20N2O5S2/c1-21(2,29(26,27)17-13-11-16(12-14-17)28(3,24)25)20(23)22-19-10-6-8-15-7-4-5-9-18(15)19;1-12-5-10-15(18-11-12)19-16(20)17(2,3)26(23,24)14-8-6-13(7-9-14)25(4,21)22/h4-14H,1-3H3,(H,22,23);5-11H,1-4H3,(H,18,19,20)
InChIKeyCCDULTRRPZWDFI-UHFFFAOYSA-N
MW828.03 g/mol
LogP5.42
Rot. Bonds10

About 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide

2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide (PubChem CID 68901123) has the molecular formula C38H41N3O10S4 and a molecular weight of 828.03 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide
PubChem CID68901123
Molecular FormulaC38H41N3O10S4
Molecular Weight828.03 g/mol
Exact Mass827.17
IUPAC Name2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C21H21NO5S2.C17H20N2O5S2/c1-21(2,29(26,27)17-13-11-16(12-14-17)28(3,24)25)20(23)22-19-10-6-8-15-7-4-5-9-18(15)19;1-12-5-10-15(18-11-12)19-16(20)17(2,3)26(23,24)14-8-6-13(7-9-14)25(4,21)22/h4-14H,1-3H3,(H,22,23);5-11H,1-4H3,(H,18,19,20)
InChIKeyCCDULTRRPZWDFI-UHFFFAOYSA-N
XLogP5.42
TPSA207.65 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198489
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 142973761
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 157281303
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide (CID 68901123) is 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide is CC(C)(C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nc1.
What is the InChIKey of 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide?
The InChIKey is CCDULTRRPZWDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S2.C17H20N2O5S2/c1-21(2,29(26,27)17-13-11-16(12-14-17)28(3,24)25)20(23)22-19-10-6-8-15-7-4-5-9-18(15)19;1-12-5-10-15(18-11-12)19-16(20)17(2,3)26(23,24)14-8-6-13(7-9-14)25(4,21)22/h4-14H,1-3H3,(H,22,23);5-11H,1-4H3,(H,18,19,20).
What are the key properties of 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide?
2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide has a molecular weight of 828.03 g/mol, XLogP of 5.42, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 68901123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).