N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

C26H34N4O5S — CID 24687814

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1
InChIInChI=1S/C26H34N4O5S/c1-19-6-7-20(2)23(16-19)27-25(31)18-28(3)26(32)22-17-21(8-9-24(22)29-10-4-5-11-29)36(33,34)30-12-14-35-15-13-30/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,27,31)
InChIKeyDXOTUIXQXYCBOJ-UHFFFAOYSA-N
MW514.65 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 24687814) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
PubChem CID24687814
Molecular FormulaC26H34N4O5S
Molecular Weight514.65 g/mol
Exact Mass514.22
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1
InChIInChI=1S/C26H34N4O5S/c1-19-6-7-20(2)23(16-19)27-25(31)18-28(3)26(32)22-17-21(8-9-24(22)29-10-4-5-11-29)36(33,34)30-12-14-35-15-13-30/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,27,31)
InChIKeyDXOTUIXQXYCBOJ-UHFFFAOYSA-N
XLogP2.64
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9110844
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 2533414
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 9160779
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30126850
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
5-(dimethylsulfamoyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-morpholin-4-ylbenzamide
CID 46477468
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide (CID 24687814) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is DXOTUIXQXYCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c1-19-6-7-20(2)23(16-19)27-25(31)18-28(3)26(32)22-17-21(8-9-24(22)29-10-4-5-11-29)36(33,34)30-12-14-35-15-13-30/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 514.65 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 24687814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).