N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide

C17H19ClN2O2S — CID 55799419

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)c(CC)s2)c1
InChIInChI=1S/C17H19ClN2O2S/c1-4-14-10(3)8-15(23-14)17(22)20-13-9-11(6-7-12(13)18)19-16(21)5-2/h6-9H,4-5H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUDXXHXAESWKKQK-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.87
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 55799419) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID55799419
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)c(CC)s2)c1
InChIInChI=1S/C17H19ClN2O2S/c1-4-14-10(3)8-15(23-14)17(22)20-13-9-11(6-7-12(13)18)19-16(21)5-2/h6-9H,4-5H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUDXXHXAESWKKQK-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 171686952
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636
5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24670328
N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 35410868
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 978365

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 55799419) is N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)c(CC)s2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is UDXXHXAESWKKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-4-14-10(3)8-15(23-14)17(22)20-13-9-11(6-7-12(13)18)19-16(21)5-2/h6-9H,4-5H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 350.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 55799419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).