N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

C30H40N2O6S2 — CID 4990967

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C30H40N2O6S2/c1-21-16-22(2)30(23(3)17-21)40(34,35)32(14-15-36-5)20-29(33)31(19-26-10-8-24(4)39-26)13-12-25-9-11-27(37-6)28(18-25)38-7/h8-11,16-18H,12-15,19-20H2,1-7H3
InChIKeyMHJNSACHNKNJRB-UHFFFAOYSA-N
MW588.79 g/mol
LogP4.91
Rot. Bonds14

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 4990967) has the molecular formula C30H40N2O6S2 and a molecular weight of 588.79 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID4990967
Molecular FormulaC30H40N2O6S2
Molecular Weight588.79 g/mol
Exact Mass588.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C30H40N2O6S2/c1-21-16-22(2)30(23(3)17-21)40(34,35)32(14-15-36-5)20-29(33)31(19-26-10-8-24(4)39-26)13-12-25-9-11-27(37-6)28(18-25)38-7/h8-11,16-18H,12-15,19-20H2,1-7H3
InChIKeyMHJNSACHNKNJRB-UHFFFAOYSA-N
XLogP4.91
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3672201
2-[benzenesulfonyl(butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4258115
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)nonanamide
CID 4308639
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 4542241
2-[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 5038838
2-[tert-butylcarbamoyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4556189
2-[acetyl(butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3358509
2-[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3510314
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-2-[[(E)-2-phenylethenyl]sulfonyl-propylamino]acetamide
CID 6113215
2-[butyl(2-phenylethenylsulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3884303
2-[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4529116
2-[(4-bromophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4552969

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 4990967) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide is COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is MHJNSACHNKNJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O6S2/c1-21-16-22(2)30(23(3)17-21)40(34,35)32(14-15-36-5)20-29(33)31(19-26-10-8-24(4)39-26)13-12-25-9-11-27(37-6)28(18-25)38-7/h8-11,16-18H,12-15,19-20H2,1-7H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 588.79 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 4990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).