N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C20H20N4O3S2 — CID 43813737

IUPACN-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2cccs2)C(=O)c2ccncc2)c(C(N)=O)c1C
InChIInChI=1S/C20H20N4O3S2/c1-12-13(2)29-19(17(12)18(21)26)23-16(25)11-24(10-15-4-3-9-28-15)20(27)14-5-7-22-8-6-14/h3-9H,10-11H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyNBQXEHQZFWWXAE-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.20
Rot. Bonds7

About N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 43813737) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID43813737
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2cccs2)C(=O)c2ccncc2)c(C(N)=O)c1C
InChIInChI=1S/C20H20N4O3S2/c1-12-13(2)29-19(17(12)18(21)26)23-16(25)11-24(10-15-4-3-9-28-15)20(27)14-5-7-22-8-6-14/h3-9H,10-11H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyNBQXEHQZFWWXAE-UHFFFAOYSA-N
XLogP3.20
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813707
2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813708
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
4,5-dimethyl-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxamide
CID 4311136
2-[[2-[cyclohexanecarbonyl(2-phenylethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460407
methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 41340119
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 43813737) is N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is Cc1sc(NC(=O)CN(Cc2cccs2)C(=O)c2ccncc2)c(C(N)=O)c1C.
What is the InChIKey of N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is NBQXEHQZFWWXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-12-13(2)29-19(17(12)18(21)26)23-16(25)11-24(10-15-4-3-9-28-15)20(27)14-5-7-22-8-6-14/h3-9H,10-11H2,1-2H3,(H2,21,26)(H,23,25).
What are the key properties of N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 43813737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).