N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide

C26H30N2O5S — CID 2548359

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCOc1ccc(CNC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H30N2O5S/c1-19-5-10-22(11-6-19)28(34(30,31)23-12-7-20(2)8-13-23)16-15-26(29)27-18-21-9-14-24(32-3)25(17-21)33-4/h5-14,17H,15-16,18H2,1-4H3,(H,27,29)
InChIKeyXAYFLJVHJUPZKL-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.22
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide (PubChem CID 2548359) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
PubChem CID2548359
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCOc1ccc(CNC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H30N2O5S/c1-19-5-10-22(11-6-19)28(34(30,31)23-12-7-20(2)8-13-23)16-15-26(29)27-18-21-9-14-24(32-3)25(17-21)33-4/h5-14,17H,15-16,18H2,1-4H3,(H,27,29)
InChIKeyXAYFLJVHJUPZKL-UHFFFAOYSA-N
XLogP4.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92676228
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1118204
N-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 60555824
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43894513
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[[4-(diethylamino)phenyl]methyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100556660
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100676875
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide (CID 2548359) is N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide is COc1ccc(CNC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide?
The InChIKey is XAYFLJVHJUPZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19-5-10-22(11-6-19)28(34(30,31)23-12-7-20(2)8-13-23)16-15-26(29)27-18-21-9-14-24(32-3)25(17-21)33-4/h5-14,17H,15-16,18H2,1-4H3,(H,27,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide has a molecular weight of 482.60 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide is sourced from PubChem (CID 2548359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).