N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

C21H28N2OS — CID 67925999

IUPACN-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCCC(CCc1ccsc1)NC1CCc2ccc(NC(C)=O)cc2C1
InChIInChI=1S/C21H28N2OS/c1-3-19(7-4-16-10-11-25-14-16)23-21-9-6-17-5-8-20(22-15(2)24)12-18(17)13-21/h5,8,10-12,14,19,21,23H,3-4,6-7,9,13H2,1-2H3,(H,22,24)
InChIKeyHQMMZDLGRKCGMN-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.56
Rot. Bonds7

About N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 67925999) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
PubChem CID67925999
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC NameN-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCCC(CCc1ccsc1)NC1CCc2ccc(NC(C)=O)cc2C1
InChIInChI=1S/C21H28N2OS/c1-3-19(7-4-16-10-11-25-14-16)23-21-9-6-17-5-8-20(22-15(2)24)12-18(17)13-21/h5,8,10-12,14,19,21,23H,3-4,6-7,9,13H2,1-2H3,(H,22,24)
InChIKeyHQMMZDLGRKCGMN-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (CID 67925999) is N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is CCC(CCc1ccsc1)NC1CCc2ccc(NC(C)=O)cc2C1.
What is the InChIKey of N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is HQMMZDLGRKCGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-3-19(7-4-16-10-11-25-14-16)23-21-9-6-17-5-8-20(22-15(2)24)12-18(17)13-21/h5,8,10-12,14,19,21,23H,3-4,6-7,9,13H2,1-2H3,(H,22,24).
What are the key properties of N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 356.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-thiophen-3-ylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 67925999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).