N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

C19H24N4O3S — CID 39795157

IUPACN-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H24N4O3S/c1-15-3-4-18(21-16(2)24)13-19(15)27(25,26)23-11-9-22(10-12-23)14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)
InChIKeyIUZKMCHRPRRPPD-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.85
Rot. Bonds5

About N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 39795157) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID39795157
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H24N4O3S/c1-15-3-4-18(21-16(2)24)13-19(15)27(25,26)23-11-9-22(10-12-23)14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)
InChIKeyIUZKMCHRPRRPPD-UHFFFAOYSA-N
XLogP1.85
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16618211
N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 31812779
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008
2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid
CID 11625610
N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 55365640
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 39795157) is N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is IUZKMCHRPRRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15-3-4-18(21-16(2)24)13-19(15)27(25,26)23-11-9-22(10-12-23)14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 39795157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).