N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide

C20H20N4O4S2 — CID 55965030

IUPACN-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H20N4O4S2/c1-14(24-30(27,28)18-9-5-11-29-18)19(25)23-16-8-4-6-15(12-16)20(26)22-13-17-7-2-3-10-21-17/h2-12,14,24H,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyGABCNTXWKZMWLQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.38
Rot. Bonds8

About N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide

N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide (PubChem CID 55965030) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
PubChem CID55965030
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H20N4O4S2/c1-14(24-30(27,28)18-9-5-11-29-18)19(25)23-16-8-4-6-15(12-16)20(26)22-13-17-7-2-3-10-21-17/h2-12,14,24H,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyGABCNTXWKZMWLQ-UHFFFAOYSA-N
XLogP2.38
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55965284
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 60555253
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
5-(methoxymethyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332364
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide (CID 55965030) is N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide is CC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
The InChIKey is GABCNTXWKZMWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-14(24-30(27,28)18-9-5-11-29-18)19(25)23-16-8-4-6-15(12-16)20(26)22-13-17-7-2-3-10-21-17/h2-12,14,24H,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide is sourced from PubChem (CID 55965030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).