N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C17H19BrN2O4S — CID 24637880

IUPACN-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1cc(Br)c(CCNC(=O)CNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H19BrN2O4S/c1-23-13-8-11(12(18)9-14(13)24-2)5-6-19-16(21)10-20-17(22)15-4-3-7-25-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGNWMNSSAIMPXCU-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.62
Rot. Bonds8

About N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 24637880) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID24637880
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1cc(Br)c(CCNC(=O)CNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H19BrN2O4S/c1-23-13-8-11(12(18)9-14(13)24-2)5-6-19-16(21)10-20-17(22)15-4-3-7-25-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGNWMNSSAIMPXCU-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27548616
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
N-[2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 8963120
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 1043063
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
2-(2-bromo-4,5-dimethoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9211024
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
CID 9247147
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 24637880) is N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is COc1cc(Br)c(CCNC(=O)CNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GNWMNSSAIMPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-23-13-8-11(12(18)9-14(13)24-2)5-6-19-16(21)10-20-17(22)15-4-3-7-25-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 427.32 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24637880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).