2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H21N3O3S2 — CID 42770884

IUPAC2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)Nc1ncc(C)s1)CC(C)C
InChIInChI=1S/C12H21N3O3S2/c1-5-20(17,18)15(7-9(2)3)8-11(16)14-12-13-6-10(4)19-12/h6,9H,5,7-8H2,1-4H3,(H,13,14,16)
InChIKeyHTOPYCJUZKLUJW-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.70
Rot. Bonds7

About 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 42770884) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID42770884
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)Nc1ncc(C)s1)CC(C)C
InChIInChI=1S/C12H21N3O3S2/c1-5-20(17,18)15(7-9(2)3)8-11(16)14-12-13-6-10(4)19-12/h6,9H,5,7-8H2,1-4H3,(H,13,14,16)
InChIKeyHTOPYCJUZKLUJW-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4186691
2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5079917
N-(2-methoxyethyl)-2-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663870
(2R)-2-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 94024935
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 42770884) is 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCS(=O)(=O)N(CC(=O)Nc1ncc(C)s1)CC(C)C.
What is the InChIKey of 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HTOPYCJUZKLUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-5-20(17,18)15(7-9(2)3)8-11(16)14-12-13-6-10(4)19-12/h6,9H,5,7-8H2,1-4H3,(H,13,14,16).
What are the key properties of 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42770884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).