N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C18H18N6O3S — CID 2094416

IUPACN-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyUCULZAJVEZGTGY-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.20
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 2094416) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID2094416
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyUCULZAJVEZGTGY-UHFFFAOYSA-N
XLogP2.20
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 3525947
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
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-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 665963
2-[(1-benzyl-1H-tetrazol-5-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1319426
N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 2102209
N-{2-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
CID 2212720
N-(2-Methoxy-phenyl)-2-(1-p-tolyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 2616947
N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 4878916
N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
CID 25163152
7-(4-ethylphenyl)-2-(ethylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135437016

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 2094416) is N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is UCULZAJVEZGTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 398.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2094416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).