2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C27H32N2O8S — CID 43894513

IUPAC2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C27H32N2O8S/c1-18-7-10-21(11-8-18)38(31,32)29(20-9-12-22(33-2)23(15-20)34-3)17-26(30)28-16-19-13-24(35-4)27(37-6)25(14-19)36-5/h7-15H,16-17H2,1-6H3,(H,28,30)
InChIKeyRHSYQXMHXSPAET-UHFFFAOYSA-N
MW544.63 g/mol
LogP3.55
Rot. Bonds12

About 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 43894513) has the molecular formula C27H32N2O8S and a molecular weight of 544.63 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID43894513
Molecular FormulaC27H32N2O8S
Molecular Weight544.63 g/mol
Exact Mass544.19
IUPAC Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C27H32N2O8S/c1-18-7-10-21(11-8-18)38(31,32)29(20-9-12-22(33-2)23(15-20)34-3)17-26(30)28-16-19-13-24(35-4)27(37-6)25(14-19)36-5/h7-15H,16-17H2,1-6H3,(H,28,30)
InChIKeyRHSYQXMHXSPAET-UHFFFAOYSA-N
XLogP3.55
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.63
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92676228
N-[[4-(diethylamino)phenyl]methyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100556660
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1118204
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100676875
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51343966
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307425

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 43894513) is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is RHSYQXMHXSPAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O8S/c1-18-7-10-21(11-8-18)38(31,32)29(20-9-12-22(33-2)23(15-20)34-3)17-26(30)28-16-19-13-24(35-4)27(37-6)25(14-19)36-5/h7-15H,16-17H2,1-6H3,(H,28,30).
What are the key properties of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 544.63 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 43894513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).