2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

C16H25N3O3S — CID 2236672

IUPAC2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)15(20)17-13-5-7-14(8-6-13)23(21,22)19-11-9-18(4)10-12-19/h5-8H,9-12H2,1-4H3,(H,17,20)
InChIKeyUYSKKNOGQZKYFX-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.61
Rot. Bonds3

About 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 2236672) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID2236672
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)15(20)17-13-5-7-14(8-6-13)23(21,22)19-11-9-18(4)10-12-19/h5-8H,9-12H2,1-4H3,(H,17,20)
InChIKeyUYSKKNOGQZKYFX-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-cyano-N-(4-sulfamoylphenyl)acetamide
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4-(4-Methylpiperazine-1-sulfonyl)aniline
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2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
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N-[4-(hydroxysulfamoyl)phenyl]acetamide
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N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651
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CID 97278
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CID 245904

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 2236672) is 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is UYSKKNOGQZKYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,3)15(20)17-13-5-7-14(8-6-13)23(21,22)19-11-9-18(4)10-12-19/h5-8H,9-12H2,1-4H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 2236672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).