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

C16H22N4O3S3 — CID 30183569

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(CN2CCCCC2)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H22N4O3S3/c1-19(26(22,23)15-6-5-9-24-15)11-14(21)18-16-17-13(12-25-16)10-20-7-3-2-4-8-20/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,18,21)
InChIKeyTWBNJHMJLWTBOB-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.45
Rot. Bonds7

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

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30183569) has the molecular formula C16H22N4O3S3 and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID30183569
Molecular FormulaC16H22N4O3S3
Molecular Weight414.58 g/mol
Exact Mass414.09
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(CN2CCCCC2)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H22N4O3S3/c1-19(26(22,23)15-6-5-9-24-15)11-14(21)18-16-17-13(12-25-16)10-20-7-3-2-4-8-20/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,18,21)
InChIKeyTWBNJHMJLWTBOB-UHFFFAOYSA-N
XLogP2.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182568
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 43052150
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 146127731
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
2-(5-methoxy-2-pyridinyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 122132280
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110368671

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 30183569) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is CN(CC(=O)Nc1nc(CN2CCCCC2)cs1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is TWBNJHMJLWTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S3/c1-19(26(22,23)15-6-5-9-24-15)11-14(21)18-16-17-13(12-25-16)10-20-7-3-2-4-8-20/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,18,21).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.58 g/mol, XLogP of 2.45, 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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30183569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).