N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

C20H32N4O4S — CID 24680027

IUPACN-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)NC(=O)NC(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H32N4O4S/c1-14-7-8-17(15(2)13-14)29(27,28)24-11-9-23(10-12-24)16(3)18(25)21-19(26)22-20(4,5)6/h7-8,13,16H,9-12H2,1-6H3,(H2,21,22,25,26)
InChIKeyWHLLNRYMKMZCOV-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.62
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 24680027) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID24680027
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)NC(=O)NC(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H32N4O4S/c1-14-7-8-17(15(2)13-14)29(27,28)24-11-9-23(10-12-24)16(3)18(25)21-19(26)22-20(4,5)6/h7-8,13,16H,9-12H2,1-6H3,(H2,21,22,25,26)
InChIKeyWHLLNRYMKMZCOV-UHFFFAOYSA-N
XLogP1.62
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 51242936
(2S)-N-(4-acetylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2368604
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
N-(4-chloro-2-fluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680009
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 24680018
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 24679978
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8787917
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 8730657
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46674705
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 24680027) is N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)NC(=O)NC(C)(C)C)CC2)c(C)c1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is WHLLNRYMKMZCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-14-7-8-17(15(2)13-14)29(27,28)24-11-9-23(10-12-24)16(3)18(25)21-19(26)22-20(4,5)6/h7-8,13,16H,9-12H2,1-6H3,(H2,21,22,25,26).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 424.57 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 24680027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).