N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C22H36N2O3S — CID 24677488

IUPACN-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(C)CCCC(C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H36N2O3S/c1-18(2)8-7-9-19(3)23-22(25)15-12-20-10-13-21(14-11-20)28(26,27)24-16-5-4-6-17-24/h10-11,13-14,18-19H,4-9,12,15-17H2,1-3H3,(H,23,25)
InChIKeyWOMQFGNIANGELM-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.12
Rot. Bonds10

About N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24677488) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID24677488
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC NameN-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(C)CCCC(C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H36N2O3S/c1-18(2)8-7-9-19(3)23-22(25)15-12-20-10-13-21(14-11-20)28(26,27)24-16-5-4-6-17-24/h10-11,13-14,18-19H,4-9,12,15-17H2,1-3H3,(H,23,25)
InChIKeyWOMQFGNIANGELM-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60573549
(2S)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methylpentanoate
CID 9292221
(2R)-3-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoic acid
CID 119368533
(2R)-4-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]pentanoic acid
CID 119363512
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 7833234
1-(6-methylheptan-2-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111072449
N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 24677488) is N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(C)CCCC(C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is WOMQFGNIANGELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c1-18(2)8-7-9-19(3)23-22(25)15-12-20-10-13-21(14-11-20)28(26,27)24-16-5-4-6-17-24/h10-11,13-14,18-19H,4-9,12,15-17H2,1-3H3,(H,23,25).
What are the key properties of N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 408.61 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24677488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).