N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C19H19N5O4S — CID 1175547

IUPACN-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-21-22-23-24(19)15-8-16(27-2)10-17(9-15)28-3/h4-10H,11H2,1-3H3,(H,20,26)
InChIKeyFDHIYGUPIPFKIF-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.61
Rot. Bonds8

About N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1175547) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1175547
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC NameN-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-21-22-23-24(19)15-8-16(27-2)10-17(9-15)28-3/h4-10H,11H2,1-3H3,(H,20,26)
InChIKeyFDHIYGUPIPFKIF-UHFFFAOYSA-N
XLogP2.61
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
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
4-{5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzamide
CID 2254911
Cambridge id 6694362
CID 1333190
4-{5-[(2,5-Dimethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid methyl ester
CID 644565
4-{2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-N,N-diethyl-benzamide
CID 647246
4-{5-[(2-Methoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid methyl ester
CID 648565
Methyl 4-[5-[(2-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoate
CID 661404
N-(4-Acetyl-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075016
4-Methoxy-benzoic acid N'-{2-[1-(3,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 3189452
N-(4-{2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-phenyl)-acetamide
CID 651370

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1175547) is N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is FDHIYGUPIPFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-21-22-23-24(19)15-8-16(27-2)10-17(9-15)28-3/h4-10H,11H2,1-3H3,(H,20,26).
What are the key properties of N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 413.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1175547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).