N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C22H28N2O5S — CID 133186047

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-15(17-9-8-16-6-5-7-18(16)12-17)23-22(25)14-24(2)30(26,27)19-10-11-20(28-3)21(13-19)29-4/h8-13,15H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyBAYZHXVEEIFRHX-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.69
Rot. Bonds8

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 133186047) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID133186047
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-15(17-9-8-16-6-5-7-18(16)12-17)23-22(25)14-24(2)30(26,27)19-10-11-20(28-3)21(13-19)29-4/h8-13,15H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyBAYZHXVEEIFRHX-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]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

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 133188756
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078024
2-[benzenesulfonyl(methyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133186045
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125087231
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 125059458
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078046
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188156
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546620
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401323

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 133186047) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BAYZHXVEEIFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-15(17-9-8-16-6-5-7-18(16)12-17)23-22(25)14-24(2)30(26,27)19-10-11-20(28-3)21(13-19)29-4/h8-13,15H,5-7,14H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 432.54 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 133186047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).