2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C17H21N3O3S — CID 119036049

IUPAC2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ncc[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)20-16(21)11-24(22,23)17-18-8-9-19-17/h6-10,12H,2-5,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyPNCVZJXDCJFVEK-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.94
Rot. Bonds5

About 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 119036049) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID119036049
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ncc[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)20-16(21)11-24(22,23)17-18-8-9-19-17/h6-10,12H,2-5,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyPNCVZJXDCJFVEK-UHFFFAOYSA-N
XLogP1.94
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 9396568
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
2-(2-fluorophenoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395568
2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 97255752
2-(1-aminocyclobutyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 79843533
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
4-(4-fluorophenyl)-4-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9395353

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 119036049) is 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CS(=O)(=O)c1ncc[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is PNCVZJXDCJFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)20-16(21)11-24(22,23)17-18-8-9-19-17/h6-10,12H,2-5,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 119036049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).