N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide

C16H20N2O2S — CID 111597192

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)NCC3(O)CCSC3)c[nH]c12
InChIInChI=1S/C16H20N2O2S/c1-11-3-2-4-13-12(8-17-15(11)13)7-14(19)18-9-16(20)5-6-21-10-16/h2-4,8,17,20H,5-7,9-10H2,1H3,(H,18,19)
InChIKeyYWAXFEVHMSJNBF-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.00
Rot. Bonds4

About N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide

N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide (PubChem CID 111597192) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
PubChem CID111597192
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)NCC3(O)CCSC3)c[nH]c12
InChIInChI=1S/C16H20N2O2S/c1-11-3-2-4-13-12(8-17-15(11)13)7-14(19)18-9-16(20)5-6-21-10-16/h2-4,8,17,20H,5-7,9-10H2,1H3,(H,18,19)
InChIKeyYWAXFEVHMSJNBF-UHFFFAOYSA-N
XLogP2.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide (CID 111597192) is N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide is Cc1cccc2c(CC(=O)NCC3(O)CCSC3)c[nH]c12.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The InChIKey is YWAXFEVHMSJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-3-2-4-13-12(8-17-15(11)13)7-14(19)18-9-16(20)5-6-21-10-16/h2-4,8,17,20H,5-7,9-10H2,1H3,(H,18,19).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 111597192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).