N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C20H23N5OS — CID 8577219

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(CN(C)C(=O)CSc2nnnn2-c2ccccc2C)cc1
InChIInChI=1S/C20H23N5OS/c1-4-16-9-11-17(12-10-16)13-24(3)19(26)14-27-20-21-22-23-25(20)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3
InChIKeyKXXFGQPGILJAMP-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.28
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8577219) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8577219
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(CN(C)C(=O)CSc2nnnn2-c2ccccc2C)cc1
InChIInChI=1S/C20H23N5OS/c1-4-16-9-11-17(12-10-16)13-24(3)19(26)14-27-20-21-22-23-25(20)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3
InChIKeyKXXFGQPGILJAMP-UHFFFAOYSA-N
XLogP3.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8577219) is N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is CCc1ccc(CN(C)C(=O)CSc2nnnn2-c2ccccc2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KXXFGQPGILJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-4-16-9-11-17(12-10-16)13-24(3)19(26)14-27-20-21-22-23-25(20)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 381.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8577219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).