4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

C19H17N3O2S — CID 121166193

IUPAC4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1
InChIInChI=1S/C19H17N3O2S/c1-13(23)22-16-8-6-14(7-9-16)19(24)21-12-15-4-2-10-20-18(15)17-5-3-11-25-17/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYIDIIWREMPOZNA-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.70
Rot. Bonds5

About 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 121166193) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID121166193
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1
InChIInChI=1S/C19H17N3O2S/c1-13(23)22-16-8-6-14(7-9-16)19(24)21-12-15-4-2-10-20-18(15)17-5-3-11-25-17/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYIDIIWREMPOZNA-UHFFFAOYSA-N
XLogP3.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 121166193) is 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1.
What is the InChIKey of 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is YIDIIWREMPOZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13(23)22-16-8-6-14(7-9-16)19(24)21-12-15-4-2-10-20-18(15)17-5-3-11-25-17/h2-11H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121166193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).