2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide

C16H16N4O3S3 — CID 56585871

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCN(CC(=O)NCc1nc(-c2ccncc2)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H16N4O3S3/c1-20(26(22,23)16-3-2-8-24-16)10-14(21)18-9-15-19-13(11-25-15)12-4-6-17-7-5-12/h2-8,11H,9-10H2,1H3,(H,18,21)
InChIKeyCHZGIAXNYVVNDO-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.20
Rot. Bonds7

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56585871) has the molecular formula C16H16N4O3S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56585871
Molecular FormulaC16H16N4O3S3
Molecular Weight408.53 g/mol
Exact Mass408.04
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCN(CC(=O)NCc1nc(-c2ccncc2)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H16N4O3S3/c1-20(26(22,23)16-3-2-8-24-16)10-14(21)18-9-15-19-13(11-25-15)12-4-6-17-7-5-12/h2-8,11H,9-10H2,1H3,(H,18,21)
InChIKeyCHZGIAXNYVVNDO-UHFFFAOYSA-N
XLogP2.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585528
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55489731
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 56585871) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide is CN(CC(=O)NCc1nc(-c2ccncc2)cs1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is CHZGIAXNYVVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S3/c1-20(26(22,23)16-3-2-8-24-16)10-14(21)18-9-15-19-13(11-25-15)12-4-6-17-7-5-12/h2-8,11H,9-10H2,1H3,(H,18,21).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 408.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56585871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).