N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C24H31N3O6S — CID 644685

IUPACN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C24H31N3O6S/c1-17-6-7-18(2)22(13-17)27(16-23(28)25-14-20-5-4-12-33-20)24(29)15-26-34(30,31)21-10-8-19(32-3)9-11-21/h6-11,13,20,26H,4-5,12,14-16H2,1-3H3,(H,25,28)
InChIKeyLHBOKZVPXBKCQZ-UHFFFAOYSA-N
MW489.59 g/mol
LogP1.92
Rot. Bonds10

About N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 644685) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID644685
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C24H31N3O6S/c1-17-6-7-18(2)22(13-17)27(16-23(28)25-14-20-5-4-12-33-20)24(29)15-26-34(30,31)21-10-8-19(32-3)9-11-21/h6-11,13,20,26H,4-5,12,14-16H2,1-3H3,(H,25,28)
InChIKeyLHBOKZVPXBKCQZ-UHFFFAOYSA-N
XLogP1.92
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Act-462206
CID 40924317
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2948005
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1009982
2-(4-Methoxy-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N-o-tolyl-acetamide
CID 648647
2-(4-Methoxy-benzenesulfonylamino)-N-phenyl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 649466
1-((4-methoxyphenyl)sulfonyl)-N-(p-tolyl)pyrrolidine-2-carboxamide
CID 651337
N-[(4-Methoxy-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 651872

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 644685) is N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is LHBOKZVPXBKCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-17-6-7-18(2)22(13-17)27(16-23(28)25-14-20-5-4-12-33-20)24(29)15-26-34(30,31)21-10-8-19(32-3)9-11-21/h6-11,13,20,26H,4-5,12,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 489.59 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 644685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).