3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide

C22H23N3O2S — CID 144765905

IUPAC3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccccn2)c2cccs2)cc1C
InChIInChI=1S/C22H23N3O2S/c1-15-8-9-17(14-16(15)2)21(26)25-20(19-7-5-13-28-19)22(27)24-12-10-18-6-3-4-11-23-18/h3-9,11,13-14,20H,10,12H2,1-2H3,(H,24,27)(H,25,26)/t20-/m1/s1
InChIKeyMQWFQEIBEHIWJR-HXUWFJFHSA-N
MW393.51 g/mol
LogP3.59
Rot. Bonds7

About 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide

3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide (PubChem CID 144765905) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide
PubChem CID144765905
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccccn2)c2cccs2)cc1C
InChIInChI=1S/C22H23N3O2S/c1-15-8-9-17(14-16(15)2)21(26)25-20(19-7-5-13-28-19)22(27)24-12-10-18-6-3-4-11-23-18/h3-9,11,13-14,20H,10,12H2,1-2H3,(H,24,27)(H,25,26)/t20-/m1/s1
InChIKeyMQWFQEIBEHIWJR-HXUWFJFHSA-N
XLogP3.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide with MolForge

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Related Compounds

N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
CID 144765851
N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
CID 51301332
2-methyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 39897614
N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide
CID 144765836
4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 144765894
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111192072
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111192071
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide (CID 144765905) is 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide is Cc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccccn2)c2cccs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is MQWFQEIBEHIWJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-8-9-17(14-16(15)2)21(26)25-20(19-7-5-13-28-19)22(27)24-12-10-18-6-3-4-11-23-18/h3-9,11,13-14,20H,10,12H2,1-2H3,(H,24,27)(H,25,26)/t20-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide?
3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 144765905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).