N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide

C19H21NOS — CID 24553065

IUPACN-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NC(c1ccc2c(c1)CCCC2)c1cccs1)C1CC1
InChIInChI=1S/C19H21NOS/c21-19(14-8-9-14)20-18(17-6-3-11-22-17)16-10-7-13-4-1-2-5-15(13)12-16/h3,6-7,10-12,14,18H,1-2,4-5,8-9H2,(H,20,21)
InChIKeyKIEHSPLMAUMHQG-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.24
Rot. Bonds4

About N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide

N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 24553065) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
PubChem CID24553065
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NC(c1ccc2c(c1)CCCC2)c1cccs1)C1CC1
InChIInChI=1S/C19H21NOS/c21-19(14-8-9-14)20-18(17-6-3-11-22-17)16-10-7-13-4-1-2-5-15(13)12-16/h3,6-7,10-12,14,18H,1-2,4-5,8-9H2,(H,20,21)
InChIKeyKIEHSPLMAUMHQG-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24553086
ethyl 4-[[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24553056
6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 31981369
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553076
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
7a-methyl-5-oxo-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55453746
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 42923118
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31710027
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402

Frequently Asked Questions

What is the IUPAC name of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide (CID 24553065) is N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide is O=C(NC(c1ccc2c(c1)CCCC2)c1cccs1)C1CC1.
What is the InChIKey of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is KIEHSPLMAUMHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c21-19(14-8-9-14)20-18(17-6-3-11-22-17)16-10-7-13-4-1-2-5-15(13)12-16/h3,6-7,10-12,14,18H,1-2,4-5,8-9H2,(H,20,21).
What are the key properties of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide?
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 311.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 24553065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).