N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C13H13BrN2O2S2 — CID 9108741

IUPACN-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H13BrN2O2S2/c1-16(8-9-4-5-11(14)20-9)12(17)7-15-13(18)10-3-2-6-19-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyVEINGZYBEUJYAF-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9108741) has the molecular formula C13H13BrN2O2S2 and a molecular weight of 373.30 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9108741
Molecular FormulaC13H13BrN2O2S2
Molecular Weight373.30 g/mol
Exact Mass371.96
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H13BrN2O2S2/c1-16(8-9-4-5-11(14)20-9)12(17)7-15-13(18)10-3-2-6-19-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyVEINGZYBEUJYAF-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839452
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 9108735
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[3-[(4-bromothiophen-2-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55742991
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9119855
2-methyl-5-[[methyl-[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]furan-3-carboxylic acid
CID 120522848
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 7972132
N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 9108741) is N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VEINGZYBEUJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S2/c1-16(8-9-4-5-11(14)20-9)12(17)7-15-13(18)10-3-2-6-19-10/h2-6H,7-8H2,1H3,(H,15,18).
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 373.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9108741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).