N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide

C20H27N4O4S+ — CID 9110844

IUPACN-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)c[nH+]2)c1
InChIInChI=1S/C20H26N4O4S/c1-15-4-5-16(2)18(12-15)22-20(25)14-23(3)19-7-6-17(13-21-19)29(26,27)24-8-10-28-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+1
InChIKeyDLIUQYOKTLIXBG-UHFFFAOYSA-O
MW419.53 g/mol
LogP1.21
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide

N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide (PubChem CID 9110844) has the molecular formula C20H27N4O4S+ and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
PubChem CID9110844
Molecular FormulaC20H27N4O4S+
Molecular Weight419.53 g/mol
Exact Mass419.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)c[nH+]2)c1
InChIInChI=1S/C20H26N4O4S/c1-15-4-5-16(2)18(12-15)22-20(25)14-23(3)19-7-6-17(13-21-19)29(26,27)24-8-10-28-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+1
InChIKeyDLIUQYOKTLIXBG-UHFFFAOYSA-O
XLogP1.21
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9195592
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 24687814
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30126850
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4151402
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide (CID 9110844) is N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide is Cc1ccc(C)c(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)c[nH+]2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The InChIKey is DLIUQYOKTLIXBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4O4S/c1-15-4-5-16(2)18(12-15)22-20(25)14-23(3)19-7-6-17(13-21-19)29(26,27)24-8-10-28-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide has a molecular weight of 419.53 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide is sourced from PubChem (CID 9110844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).