N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide

C19H23NOS — CID 99779945

IUPACN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
SMILESCC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H23NOS/c1-2-18(20-19(21)13-17-8-5-11-22-17)16-10-9-14-6-3-4-7-15(14)12-16/h5,8-12,18H,2-4,6-7,13H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyILGZYQJKFLDGIP-GOSISDBHSA-N
MW313.47 g/mol
LogP4.44
Rot. Bonds5

About N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 99779945) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
PubChem CID99779945
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
SMILESCC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H23NOS/c1-2-18(20-19(21)13-17-8-5-11-22-17)16-10-9-14-6-3-4-7-15(14)12-16/h5,8-12,18H,2-4,6-7,13H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyILGZYQJKFLDGIP-GOSISDBHSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
CID 113101560
(3S)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 125084727
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 133191545
3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191080
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55591034

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide (CID 99779945) is N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide is CC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is ILGZYQJKFLDGIP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NOS/c1-2-18(20-19(21)13-17-8-5-11-22-17)16-10-9-14-6-3-4-7-15(14)12-16/h5,8-12,18H,2-4,6-7,13H2,1H3,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide?
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 313.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 99779945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).