N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide

C18H17N5O3S — CID 651370

IUPACN-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H17N5O3S/c1-12(24)19-14-8-6-13(7-9-14)17(25)11-27-18-20-21-22-23(18)15-4-3-5-16(10-15)26-2/h3-10H,11H2,1-2H3,(H,19,24)
InChIKeyNINLYLRGDBASKU-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.60
Rot. Bonds7

About N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide

N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide (PubChem CID 651370) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
PubChem CID651370
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H17N5O3S/c1-12(24)19-14-8-6-13(7-9-14)17(25)11-27-18-20-21-22-23(18)15-4-3-5-16(10-15)26-2/h3-10H,11H2,1-2H3,(H,19,24)
InChIKeyNINLYLRGDBASKU-UHFFFAOYSA-N
XLogP2.60
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 3525947
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
CID 700550
Methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 2250467
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(piperidine-1-carbonyl)-phenyl]-acetamide
CID 646039
4-{5-[(2-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid methyl ester
CID 653523
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 1175547
N-(3-methoxyphenyl)-2-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 1262685
N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2094416

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide (CID 651370) is N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide is COc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
The InChIKey is NINLYLRGDBASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-12(24)19-14-8-6-13(7-9-14)17(25)11-27-18-20-21-22-23(18)15-4-3-5-16(10-15)26-2/h3-10H,11H2,1-2H3,(H,19,24).
What are the key properties of N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 651370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).