4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide

C23H28ClN3O5S — CID 53287605

IUPAC4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C23H28ClN3O5S/c1-17-19(24)8-5-10-21(17)27(33(2,30)31)12-6-11-22(28)25-20-9-4-3-7-18(20)23(29)26-13-15-32-16-14-26/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,28)
InChIKeyJLSOLARLKFCDES-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.31
Rot. Bonds8

About 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide

4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (PubChem CID 53287605) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
PubChem CID53287605
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C23H28ClN3O5S/c1-17-19(24)8-5-10-21(17)27(33(2,30)31)12-6-11-22(28)25-20-9-4-3-7-18(20)23(29)26-13-15-32-16-14-26/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,28)
InChIKeyJLSOLARLKFCDES-UHFFFAOYSA-N
XLogP3.31
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126318860
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 100518218
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1317655
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2224224
dimethyl 2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzene-1,4-dicarboxylate
CID 100743483
N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265158
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2206606
N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100512833

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (CID 53287605) is 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is JLSOLARLKFCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-17-19(24)8-5-10-21(17)27(33(2,30)31)12-6-11-22(28)25-20-9-4-3-7-18(20)23(29)26-13-15-32-16-14-26/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,28).
What are the key properties of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 494.01 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 53287605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).