1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

C16H23N3O2S — CID 111443445

IUPAC1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCSC(CO)C(C)NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2S/c1-11(15(10-20)22-2)19-16(21)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,15,18,20H,7-8,10H2,1-2H3,(H2,17,19,21)
InChIKeyAOXARQSVPDGZAI-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.12
Rot. Bonds7

About 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 111443445) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID111443445
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCSC(CO)C(C)NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2S/c1-11(15(10-20)22-2)19-16(21)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,15,18,20H,7-8,10H2,1-2H3,(H2,17,19,21)
InChIKeyAOXARQSVPDGZAI-UHFFFAOYSA-N
XLogP2.12
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
(2S,3S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 25427179
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108824
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 111443445) is 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea is CSC(CO)C(C)NC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is AOXARQSVPDGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(15(10-20)22-2)19-16(21)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,15,18,20H,7-8,10H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 321.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 111443445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).