N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C17H17Cl2N3O3S — CID 24979373

IUPACN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C17H17Cl2N3O3S/c1-10-6-7-13(26-10)17(25)20-8-15(24)22(2)9-14(23)21-16-11(18)4-3-5-12(16)19/h3-7H,8-9H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyZIRGTLOGWXFRMJ-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.19
Rot. Bonds6

About N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 24979373) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID24979373
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC NameN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C17H17Cl2N3O3S/c1-10-6-7-13(26-10)17(25)20-8-15(24)22(2)9-14(23)21-16-11(18)4-3-5-12(16)19/h3-7H,8-9H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyZIRGTLOGWXFRMJ-UHFFFAOYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
N-(2-((2-chloro-5-(N-(4-chlorophenyl)sulfamoyl)phenyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 4848431
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9145543
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9522816
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-iodothiophene-2-carboxamide
CID 44393393
[5-[[3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propylamino]methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 44530202
5-chloro-N-[(3R)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-1-ium-3-yl]thiophene-2-carboxamide
CID 72199400
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 831669
(S)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidin-3-yl)cyclopenta-1,3-dienecarboxamide
CID 42643176
N-(2,6-dichlorophenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
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N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 2472556

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 24979373) is N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)s1.
What is the InChIKey of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ZIRGTLOGWXFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-10-6-7-13(26-10)17(25)20-8-15(24)22(2)9-14(23)21-16-11(18)4-3-5-12(16)19/h3-7H,8-9H2,1-2H3,(H,20,25)(H,21,23).
What are the key properties of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24979373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).