N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide

C17H24N2O2S — CID 97235958

IUPACN-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
SMILESCS[C@@H](CO)[C@@H](C)NC(=O)CCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C17H24N2O2S/c1-11-5-4-6-14-13(9-18-17(11)14)7-8-16(21)19-12(2)15(10-20)22-3/h4-6,9,12,15,18,20H,7-8,10H2,1-3H3,(H,19,21)/t12-,15+/m1/s1
InChIKeyLJMFRAHJXJCUMN-DOMZBBRYSA-N
MW320.46 g/mol
LogP2.64
Rot. Bonds7

About N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide

N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide (PubChem CID 97235958) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
PubChem CID97235958
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
SMILESCS[C@@H](CO)[C@@H](C)NC(=O)CCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C17H24N2O2S/c1-11-5-4-6-14-13(9-18-17(11)14)7-8-16(21)19-12(2)15(10-20)22-3/h4-6,9,12,15,18,20H,7-8,10H2,1-3H3,(H,19,21)/t12-,15+/m1/s1
InChIKeyLJMFRAHJXJCUMN-DOMZBBRYSA-N
XLogP2.64
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide with MolForge

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Related Compounds

3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111487131
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111443445
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111696845
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-methyl-2-[4-[3-(7-methyl-1H-indol-3-yl)propanoylamino]phenyl]propanoic acid
CID 119254447

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide (CID 97235958) is N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide is CS[C@@H](CO)[C@@H](C)NC(=O)CCc1c[nH]c2c(C)cccc12.
What is the InChIKey of N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The InChIKey is LJMFRAHJXJCUMN-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11-5-4-6-14-13(9-18-17(11)14)7-8-16(21)19-12(2)15(10-20)22-3/h4-6,9,12,15,18,20H,7-8,10H2,1-3H3,(H,19,21)/t12-,15+/m1/s1.
What are the key properties of N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide has a molecular weight of 320.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 97235958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).