N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide

C21H24N2O2S — CID 87051579

IUPACN-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-14(2)12-23-11-10-17-19(21(23)25)18(15(3)26-17)20(24)22(4)13-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3
InChIKeyOOBCDIDYGLLBQF-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.30
Rot. Bonds5

About N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide

N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide (PubChem CID 87051579) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
PubChem CID87051579
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-14(2)12-23-11-10-17-19(21(23)25)18(15(3)26-17)20(24)22(4)13-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3
InChIKeyOOBCDIDYGLLBQF-UHFFFAOYSA-N
XLogP4.30
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
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CID 23766608
N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 92987288
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
N-benzyl-N,5-dimethyl-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23793202
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R)-N-benzyl-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7362687
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2704236
N-benzyl-N,3-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384800
N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide
CID 22901909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide (CID 87051579) is N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide is Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is OOBCDIDYGLLBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(2)12-23-11-10-17-19(21(23)25)18(15(3)26-17)20(24)22(4)13-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 87051579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).