N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide

C20H30N4O4S — CID 9488307

IUPACN-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
SMILESCN1CCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H30N4O4S/c1-22-9-11-24(12-10-22)20(26)15-23(2)19(25)14-21-29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h7-8,13,21H,3-6,9-12,14-15H2,1-2H3
InChIKeyJSTQMOXRJNBDLX-UHFFFAOYSA-N
MW422.55 g/mol
LogP0.08
Rot. Bonds6

About N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide

N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide (PubChem CID 9488307) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
PubChem CID9488307
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
SMILESCN1CCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H30N4O4S/c1-22-9-11-24(12-10-22)20(26)15-23(2)19(25)14-21-29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h7-8,13,21H,3-6,9-12,14-15H2,1-2H3
InChIKeyJSTQMOXRJNBDLX-UHFFFAOYSA-N
XLogP0.08
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)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-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370914
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119563156
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 8891900
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890289
(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847537
2-[cycloheptyl(methyl)amino]-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 16577878
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86845648
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 24538550
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119520090

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide (CID 9488307) is N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide is CN1CCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide?
The InChIKey is JSTQMOXRJNBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-22-9-11-24(12-10-22)20(26)15-23(2)19(25)14-21-29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h7-8,13,21H,3-6,9-12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide?
N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide has a molecular weight of 422.55 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 9488307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).