3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

C22H26ClNOS — CID 133191080

IUPAC3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H26ClNOS/c1-2-21(18-8-7-16-5-3-4-6-17(16)15-18)24-22(25)13-14-26-20-11-9-19(23)10-12-20/h7-12,15,21H,2-6,13-14H2,1H3,(H,24,25)
InChIKeyYEYVEZUBBJJNJB-UHFFFAOYSA-N
MW387.98 g/mol
LogP5.97
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (PubChem CID 133191080) has the molecular formula C22H26ClNOS and a molecular weight of 387.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
PubChem CID133191080
Molecular FormulaC22H26ClNOS
Molecular Weight387.98 g/mol
Exact Mass387.14
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H26ClNOS/c1-2-21(18-8-7-16-5-3-4-6-17(16)15-18)24-22(25)13-14-26-20-11-9-19(23)10-12-20/h7-12,15,21H,2-6,13-14H2,1H3,(H,24,25)
InChIKeyYEYVEZUBBJJNJB-UHFFFAOYSA-N
XLogP5.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.98
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
CID 133191601
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
CID 133191909
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191306
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125086257
(2R)-6-chloro-4-methylsulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125080105

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (CID 133191080) is 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is CCC(NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The InChIKey is YEYVEZUBBJJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNOS/c1-2-21(18-8-7-16-5-3-4-6-17(16)15-18)24-22(25)13-14-26-20-11-9-19(23)10-12-20/h7-12,15,21H,2-6,13-14H2,1H3,(H,24,25).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide has a molecular weight of 387.98 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is sourced from PubChem (CID 133191080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).