2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C20H22ClN3O5S — CID 126318860

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O5S/c1-30(27,28)24(18-9-5-3-7-16(18)21)14-19(25)22-17-8-4-2-6-15(17)20(26)23-10-12-29-13-11-23/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyGZSYGUSPPOTORI-UHFFFAOYSA-N
MW451.93 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 126318860) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID126318860
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O5S/c1-30(27,28)24(18-9-5-3-7-16(18)21)14-19(25)22-17-8-4-2-6-15(17)20(26)23-10-12-29-13-11-23/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyGZSYGUSPPOTORI-UHFFFAOYSA-N
XLogP2.22
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2224224
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53287605
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2206606
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17313016
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 6500029
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 30271328
N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30276109
2-(N-methylsulfonyl-3-nitroanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2957206

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 126318860) is 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is GZSYGUSPPOTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c1-30(27,28)24(18-9-5-3-7-16(18)21)14-19(25)22-17-8-4-2-6-15(17)20(26)23-10-12-29-13-11-23/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 451.93 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 126318860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).