3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide

C19H21N5O2S — CID 16649469

IUPAC3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nnnn1-c1cccc(C)c1C
InChIInChI=1S/C19H21N5O2S/c1-13-7-6-9-16(14(13)2)24-19(21-22-23-24)27-12-11-18(25)20-15-8-4-5-10-17(15)26-3/h4-10H,11-12H2,1-3H3,(H,20,25)
InChIKeyKAAUNXDNIBGHBF-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.41
Rot. Bonds7

About 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide

3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 16649469) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID16649469
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nnnn1-c1cccc(C)c1C
InChIInChI=1S/C19H21N5O2S/c1-13-7-6-9-16(14(13)2)24-19(21-22-23-24)27-12-11-18(25)20-15-8-4-5-10-17(15)26-3/h4-10H,11-12H2,1-3H3,(H,20,25)
InChIKeyKAAUNXDNIBGHBF-UHFFFAOYSA-N
XLogP3.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46683407
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26644104
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418
N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 3678773
N-(1,3-benzodioxol-5-yl)-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46403936
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 1175477
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26644049
2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42070616
3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 39758324
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide (CID 16649469) is 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSc1nnnn1-c1cccc(C)c1C.
What is the InChIKey of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is KAAUNXDNIBGHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-7-6-9-16(14(13)2)24-19(21-22-23-24)27-12-11-18(25)20-15-8-4-5-10-17(15)26-3/h4-10H,11-12H2,1-3H3,(H,20,25).
What are the key properties of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 383.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 16649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).