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

C16H15Cl2N3O3S — CID 7972132

IUPACN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H15Cl2N3O3S/c1-21(14(23)8-19-16(24)12-6-3-7-25-12)9-13(22)20-15-10(17)4-2-5-11(15)18/h2-7H,8-9H2,1H3,(H,19,24)(H,20,22)
InChIKeyIGNJOBDUGUUUIJ-UHFFFAOYSA-N
MW400.29 g/mol
LogP2.88
Rot. Bonds6

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

N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 7972132) has the molecular formula C16H15Cl2N3O3S and a molecular weight of 400.29 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID7972132
Molecular FormulaC16H15Cl2N3O3S
Molecular Weight400.29 g/mol
Exact Mass399.02
IUPAC NameN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H15Cl2N3O3S/c1-21(14(23)8-19-16(24)12-6-3-7-25-12)9-13(22)20-15-10(17)4-2-5-11(15)18/h2-7H,8-9H2,1H3,(H,19,24)(H,20,22)
InChIKeyIGNJOBDUGUUUIJ-UHFFFAOYSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190
2,4-dichloro-N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27788350
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 7972132) is N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is IGNJOBDUGUUUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3S/c1-21(14(23)8-19-16(24)12-6-3-7-25-12)9-13(22)20-15-10(17)4-2-5-11(15)18/h2-7H,8-9H2,1H3,(H,19,24)(H,20,22).
What are the key properties of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 400.29 g/mol, XLogP of 2.88, 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]thiophene-2-carboxamide is sourced from PubChem (CID 7972132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).