2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C22H27ClN4O5S — CID 16555054

IUPAC2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H27ClN4O5S/c1-16-3-5-17(6-4-16)24-21(28)14-26(2)15-22(29)25-18-7-8-19(23)20(13-18)33(30,31)27-9-11-32-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyAWIOADJXNBYUID-UHFFFAOYSA-N
MW495.00 g/mol
LogP2.18
Rot. Bonds8

About 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 16555054) has the molecular formula C22H27ClN4O5S and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID16555054
Molecular FormulaC22H27ClN4O5S
Molecular Weight495.00 g/mol
Exact Mass494.14
IUPAC Name2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H27ClN4O5S/c1-16-3-5-17(6-4-16)24-21(28)14-26(2)15-22(29)25-18-7-8-19(23)20(13-18)33(30,31)27-9-11-32-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyAWIOADJXNBYUID-UHFFFAOYSA-N
XLogP2.18
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 43021766
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3,5-difluoro-N-methylbenzamide
CID 26729952
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 16561622
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 42989986
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide
CID 31932817
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
CID 27772574
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 26308926
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545129
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 4217336

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 16555054) is 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is AWIOADJXNBYUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O5S/c1-16-3-5-17(6-4-16)24-21(28)14-26(2)15-22(29)25-18-7-8-19(23)20(13-18)33(30,31)27-9-11-32-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 495.00 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 16555054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).