N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C18H26ClN3O4S — CID 4840515

IUPACN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC(C)O1
InChIInChI=1S/C18H26ClN3O4S/c1-13-10-21(11-14(2)26-13)12-18(23)20-17-9-15(5-6-16(17)19)27(24,25)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3,(H,20,23)
InChIKeyMBPPXYXEWBEFMV-UHFFFAOYSA-N
MW415.94 g/mol
LogP2.17
Rot. Bonds5

About N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 4840515) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID4840515
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC(C)O1
InChIInChI=1S/C18H26ClN3O4S/c1-13-10-21(11-14(2)26-13)12-18(23)20-17-9-15(5-6-16(17)19)27(24,25)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3,(H,20,23)
InChIKeyMBPPXYXEWBEFMV-UHFFFAOYSA-N
XLogP2.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4847508
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] propanoate
CID 5223314
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
N-(2-chloro-4-{[4-(2-morpholinoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2812251
Ethyl 1-[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4067349
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(cyclohexylamino)acetamide
CID 4464092
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4531171
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 4869971
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 4965547
N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 4969184
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]acetamide
CID 5025746

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 4840515) is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC(C)O1.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is MBPPXYXEWBEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4S/c1-13-10-21(11-14(2)26-13)12-18(23)20-17-9-15(5-6-16(17)19)27(24,25)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 415.94 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 4840515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).