N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C20H20BrN3O2S — CID 71886930

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)N(CC(N)=O)Cc3ccc(Br)cc3)sc2n1
InChIInChI=1S/C20H20BrN3O2S/c1-11-8-12(2)23-19-17(11)13(3)18(27-19)20(26)24(10-16(22)25)9-14-4-6-15(21)7-5-14/h4-8H,9-10H2,1-3H3,(H2,22,25)
InChIKeyMCWTUKMXSCWBCC-UHFFFAOYSA-N
MW446.37 g/mol
LogP4.11
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 71886930) has the molecular formula C20H20BrN3O2S and a molecular weight of 446.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID71886930
Molecular FormulaC20H20BrN3O2S
Molecular Weight446.37 g/mol
Exact Mass445.05
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)N(CC(N)=O)Cc3ccc(Br)cc3)sc2n1
InChIInChI=1S/C20H20BrN3O2S/c1-11-8-12(2)23-19-17(11)13(3)18(27-19)20(26)24(10-16(22)25)9-14-4-6-15(21)7-5-14/h4-8H,9-10H2,1-3H3,(H2,22,25)
InChIKeyMCWTUKMXSCWBCC-UHFFFAOYSA-N
XLogP4.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
CID 71892511
3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 14510427
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 60513491
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 75416940
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 75466636
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 71886930) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)N(CC(N)=O)Cc3ccc(Br)cc3)sc2n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MCWTUKMXSCWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2S/c1-11-8-12(2)23-19-17(11)13(3)18(27-19)20(26)24(10-16(22)25)9-14-4-6-15(21)7-5-14/h4-8H,9-10H2,1-3H3,(H2,22,25).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 446.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 71886930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).