N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C21H19Cl2N3O3S — CID 27807598

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2)cs1
InChIInChI=1S/C21H19Cl2N3O3S/c1-13-24-15(12-30-13)11-29-16-8-6-14(7-9-16)21(28)26(2)10-19(27)25-20-17(22)4-3-5-18(20)23/h3-9,12H,10-11H2,1-2H3,(H,25,27)
InChIKeyKUYUCTSRQQIRDJ-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.05
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 27807598) has the molecular formula C21H19Cl2N3O3S and a molecular weight of 464.37 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID27807598
Molecular FormulaC21H19Cl2N3O3S
Molecular Weight464.37 g/mol
Exact Mass463.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2)cs1
InChIInChI=1S/C21H19Cl2N3O3S/c1-13-24-15(12-30-13)11-29-16-8-6-14(7-9-16)21(28)26(2)10-19(27)25-20-17(22)4-3-5-18(20)23/h3-9,12H,10-11H2,1-2H3,(H,25,27)
InChIKeyKUYUCTSRQQIRDJ-UHFFFAOYSA-N
XLogP5.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46418251
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 37351934
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46536550
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34170082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 27807598) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2)cs1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is KUYUCTSRQQIRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3S/c1-13-24-15(12-30-13)11-29-16-8-6-14(7-9-16)21(28)26(2)10-19(27)25-20-17(22)4-3-5-18(20)23/h3-9,12H,10-11H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 464.37 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 27807598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).