N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide

C22H28N4O5S — CID 37281546

IUPACN-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N4O5S/c1-17-5-3-4-6-20(17)26(32(2,29)30)16-22(28)24-19-9-7-18(8-10-19)23-21(27)15-25-11-13-31-14-12-25/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNBQKHWPFSADWNN-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.67
Rot. Bonds8

About N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide

N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 37281546) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
PubChem CID37281546
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC NameN-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N4O5S/c1-17-5-3-4-6-20(17)26(32(2,29)30)16-22(28)24-19-9-7-18(8-10-19)23-21(27)15-25-11-13-31-14-12-25/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNBQKHWPFSADWNN-UHFFFAOYSA-N
XLogP1.67
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide 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-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100521667
2-(2-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55359292
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-(2-methyl-N-methylsulfonylanilino)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363518
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide (CID 37281546) is N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide is Cc1ccccc1N(CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is NBQKHWPFSADWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-17-5-3-4-6-20(17)26(32(2,29)30)16-22(28)24-19-9-7-18(8-10-19)23-21(27)15-25-11-13-31-14-12-25/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide?
N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 460.56 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 37281546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).