N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C16H24N4O4S — CID 55436788

IUPACN-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)NC(=O)CN2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C16H24N4O4S/c1-12-5-4-6-14(13(12)2)17-16(22)18-15(21)11-19-7-9-20(10-8-19)25(3,23)24/h4-6H,7-11H2,1-3H3,(H2,17,18,21,22)
InChIKeyUURKDXHWJDCGIE-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.53
Rot. Bonds4

About N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 55436788) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID55436788
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)NC(=O)CN2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C16H24N4O4S/c1-12-5-4-6-14(13(12)2)17-16(22)18-15(21)11-19-7-9-20(10-8-19)25(3,23)24/h4-6H,7-11H2,1-3H3,(H2,17,18,21,22)
InChIKeyUURKDXHWJDCGIE-UHFFFAOYSA-N
XLogP0.53
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643091
N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 9249225
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9435279
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
CID 110684450
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-[cyclopentyl(methyl)amino]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 51282081

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 55436788) is N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is Cc1cccc(NC(=O)NC(=O)CN2CCN(S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is UURKDXHWJDCGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-12-5-4-6-14(13(12)2)17-16(22)18-15(21)11-19-7-9-20(10-8-19)25(3,23)24/h4-6H,7-11H2,1-3H3,(H2,17,18,21,22).
What are the key properties of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 55436788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).