N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C16H20ClN3OS — CID 119936135

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3OS/c17-12-1-2-15-14(7-12)11(9-20-15)3-4-19-16(21)8-13-10-22-6-5-18-13/h1-2,7,9,13,18,20H,3-6,8,10H2,(H,19,21)
InChIKeyZNUFHMFVFUNXCW-UHFFFAOYSA-N
MW337.88 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936135) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936135
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3OS/c17-12-1-2-15-14(7-12)11(9-20-15)3-4-19-16(21)8-13-10-22-6-5-18-13/h1-2,7,9,13,18,20H,3-6,8,10H2,(H,19,21)
InChIKeyZNUFHMFVFUNXCW-UHFFFAOYSA-N
XLogP2.58
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-(4-chlorophenyl)-4-[(2-thiomorpholin-3-ylacetyl)amino]butanamide
CID 119937332
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119936135) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZNUFHMFVFUNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c17-12-1-2-15-14(7-12)11(9-20-15)3-4-19-16(21)8-13-10-22-6-5-18-13/h1-2,7,9,13,18,20H,3-6,8,10H2,(H,19,21).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 337.88 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).