N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide

C13H10Cl2N2O2S — CID 46756487

IUPACN-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O2S/c14-8-3-1-4-9(12(8)15)17-11(18)7-16-13(19)10-5-2-6-20-10/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyRDPXJFZSNHMQAT-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46756487) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46756487
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC NameN-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O2S/c14-8-3-1-4-9(12(8)15)17-11(18)7-16-13(19)10-5-2-6-20-10/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyRDPXJFZSNHMQAT-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
CID 110698081
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 7972132
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149
N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 94288943
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 113001513
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 46756487) is N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RDPXJFZSNHMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-8-3-1-4-9(12(8)15)17-11(18)7-16-13(19)10-5-2-6-20-10/h1-6H,7H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 329.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46756487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).