N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H23ClN2O4S — CID 2083683

IUPACN-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-15-2-8-19(18(21)14-15)22-20(24)9-5-16-3-6-17(7-4-16)28(25,26)23-10-12-27-13-11-23/h2-4,6-8,14H,5,9-13H2,1H3,(H,22,24)
InChIKeyLORNNNSNZIBNCF-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.24
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2083683) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2083683
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-15-2-8-19(18(21)14-15)22-20(24)9-5-16-3-6-17(7-4-16)28(25,26)23-10-12-27-13-11-23/h2-4,6-8,14H,5,9-13H2,1H3,(H,22,24)
InChIKeyLORNNNSNZIBNCF-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
N-(2-chlorophenyl)-4-(morpholinosulfonyl)benzamide
CID 1152895
2-(4-chlorophenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide
CID 1164400
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488
N-(3-Chloro-4-methylphenyl)-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide
CID 1327087
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2078883
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2105999
N-(4-methylphenyl)-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 2224699
N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2572944

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2083683) is N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is LORNNNSNZIBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15-2-8-19(18(21)14-15)22-20(24)9-5-16-3-6-17(7-4-16)28(25,26)23-10-12-27-13-11-23/h2-4,6-8,14H,5,9-13H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 422.93 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2083683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).