2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C26H30N2O6S — CID 51344354

IUPAC2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O6S/c1-19-5-12-23(13-6-19)35(30,31)28(24-17-22(33-3)11-14-25(24)34-4)18-26(29)27-16-15-20-7-9-21(32-2)10-8-20/h5-14,17H,15-16,18H2,1-4H3,(H,27,29)
InChIKeyRVQIPGMUZXYMJQ-UHFFFAOYSA-N
MW498.60 g/mol
LogP3.58
Rot. Bonds11

About 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 51344354) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID51344354
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O6S/c1-19-5-12-23(13-6-19)35(30,31)28(24-17-22(33-3)11-14-25(24)34-4)18-26(29)27-16-15-20-7-9-21(32-2)10-8-20/h5-14,17H,15-16,18H2,1-4H3,(H,27,29)
InChIKeyRVQIPGMUZXYMJQ-UHFFFAOYSA-N
XLogP3.58
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30215393
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30215340
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1336957
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1338540
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30215375
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126172607
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2278987
N-[(3,4-diethoxyphenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894448

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 51344354) is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is RVQIPGMUZXYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-19-5-12-23(13-6-19)35(30,31)28(24-17-22(33-3)11-14-25(24)34-4)18-26(29)27-16-15-20-7-9-21(32-2)10-8-20/h5-14,17H,15-16,18H2,1-4H3,(H,27,29).
What are the key properties of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 498.60 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 51344354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).