N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide

C19H26N2O3S — CID 71907529

IUPACN-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide
SMILESCC1(C)CCC(S(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H26N2O3S/c1-19(2)11-9-15(10-12-19)25(23,24)21-18(22)8-7-14-13-20-17-6-4-3-5-16(14)17/h3-6,13,15,20H,7-12H2,1-2H3,(H,21,22)
InChIKeyAMQDSPVYYVNFCS-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.52
Rot. Bonds5

About N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide

N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide (PubChem CID 71907529) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide
PubChem CID71907529
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide
SMILESCC1(C)CCC(S(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H26N2O3S/c1-19(2)11-9-15(10-12-19)25(23,24)21-18(22)8-7-14-13-20-17-6-4-3-5-16(14)17/h3-6,13,15,20H,7-12H2,1-2H3,(H,21,22)
InChIKeyAMQDSPVYYVNFCS-UHFFFAOYSA-N
XLogP3.52
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 103991132
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide (CID 71907529) is N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide is CC1(C)CCC(S(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is AMQDSPVYYVNFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-19(2)11-9-15(10-12-19)25(23,24)21-18(22)8-7-14-13-20-17-6-4-3-5-16(14)17/h3-6,13,15,20H,7-12H2,1-2H3,(H,21,22).
What are the key properties of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide?
N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 362.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 71907529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).