2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide

C18H21ClN2OS — CID 119533953

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCCC1CCNC1
InChIInChI=1S/C18H21ClN2OS/c19-15-5-1-3-14-4-2-6-16(18(14)15)23-12-17(22)21-10-8-13-7-9-20-11-13/h1-6,13,20H,7-12H2,(H,21,22)
InChIKeyNETZOAVXVDJBCX-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.70
Rot. Bonds6

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119533953) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119533953
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCCC1CCNC1
InChIInChI=1S/C18H21ClN2OS/c19-15-5-1-3-14-4-2-6-16(18(14)15)23-12-17(22)21-10-8-13-7-9-20-11-13/h1-6,13,20H,7-12H2,(H,21,22)
InChIKeyNETZOAVXVDJBCX-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391126
2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534534
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119430016
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 7945317
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119556818
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537007
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119533953) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(CSc1cccc2cccc(Cl)c12)NCCC1CCNC1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is NETZOAVXVDJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c19-15-5-1-3-14-4-2-6-16(18(14)15)23-12-17(22)21-10-8-13-7-9-20-11-13/h1-6,13,20H,7-12H2,(H,21,22).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 348.90 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119533953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).