N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide

C24H29N3O3S — CID 4840684

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C24H29N3O3S/c1-17-13-18(2)16-27(15-17)31(29,30)21-10-8-20(9-11-21)26-24(28)12-7-19-14-25-23-6-4-3-5-22(19)23/h3-6,8-11,14,17-18,25H,7,12-13,15-16H2,1-2H3,(H,26,28)
InChIKeyWPZIIKYQQOXSIP-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.41
Rot. Bonds6

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 4840684) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID4840684
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C24H29N3O3S/c1-17-13-18(2)16-27(15-17)31(29,30)21-10-8-20(9-11-21)26-24(28)12-7-19-14-25-23-6-4-3-5-22(19)23/h3-6,8-11,14,17-18,25H,7,12-13,15-16H2,1-2H3,(H,26,28)
InChIKeyWPZIIKYQQOXSIP-UHFFFAOYSA-N
XLogP4.41
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 131909124
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 43007325
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9428151
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide (CID 4840684) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide is CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WPZIIKYQQOXSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-17-13-18(2)16-27(15-17)31(29,30)21-10-8-20(9-11-21)26-24(28)12-7-19-14-25-23-6-4-3-5-22(19)23/h3-6,8-11,14,17-18,25H,7,12-13,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 439.58 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 4840684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).