N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide

C16H20N2O2S — CID 71989714

IUPACN-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1(O)CCSCC1
InChIInChI=1S/C16H20N2O2S/c19-15(17-12-16(20)6-9-21-10-7-16)11-18-8-5-13-3-1-2-4-14(13)18/h1-5,8,20H,6-7,9-12H2,(H,17,19)
InChIKeyWNWLUANUNYQZRP-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide

N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide (PubChem CID 71989714) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
PubChem CID71989714
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1(O)CCSCC1
InChIInChI=1S/C16H20N2O2S/c19-15(17-12-16(20)6-9-21-10-7-16)11-18-8-5-13-3-1-2-4-14(13)18/h1-5,8,20H,6-7,9-12H2,(H,17,19)
InChIKeyWNWLUANUNYQZRP-UHFFFAOYSA-N
XLogP2.02
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
CID 111485881
N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989531
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
4-[3-[(2-indol-1-ylacetyl)amino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90549934
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111484909
N-(1-adamantylmethyl)-3-indol-1-ylpropanamide
CID 27514459

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide (CID 71989714) is N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NCC1(O)CCSCC1.
What is the InChIKey of N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide?
The InChIKey is WNWLUANUNYQZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15(17-12-16(20)6-9-21-10-7-16)11-18-8-5-13-3-1-2-4-14(13)18/h1-5,8,20H,6-7,9-12H2,(H,17,19).
What are the key properties of N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide?
N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide has a molecular weight of 304.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 71989714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).