N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide

C22H21N5O2S — CID 71870068

IUPACN-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCOc1ccc2cc(C(C)Sc3nnnn3-c3cccc(NC(C)=O)c3)ccc2c1
InChIInChI=1S/C22H21N5O2S/c1-14(16-7-8-18-12-21(29-3)10-9-17(18)11-16)30-22-24-25-26-27(22)20-6-4-5-19(13-20)23-15(2)28/h4-14H,1-3H3,(H,23,28)
InChIKeyDLWDONFKCHJYMR-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.64
Rot. Bonds6

About N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide

N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide (PubChem CID 71870068) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
PubChem CID71870068
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCOc1ccc2cc(C(C)Sc3nnnn3-c3cccc(NC(C)=O)c3)ccc2c1
InChIInChI=1S/C22H21N5O2S/c1-14(16-7-8-18-12-21(29-3)10-9-17(18)11-16)30-22-24-25-26-27(22)20-6-4-5-19(13-20)23-15(2)28/h4-14H,1-3H3,(H,23,28)
InChIKeyDLWDONFKCHJYMR-UHFFFAOYSA-N
XLogP4.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 55571400
(2S)-N-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464728
N-[3-[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 42950314
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46572473
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
(2R)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464589
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 46572745
(2S)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464587
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 18289109
(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide (CID 71870068) is N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide is COc1ccc2cc(C(C)Sc3nnnn3-c3cccc(NC(C)=O)c3)ccc2c1.
What is the InChIKey of N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The InChIKey is DLWDONFKCHJYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-14(16-7-8-18-12-21(29-3)10-9-17(18)11-16)30-22-24-25-26-27(22)20-6-4-5-19(13-20)23-15(2)28/h4-14H,1-3H3,(H,23,28).
What are the key properties of N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 71870068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).