N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

C25H25N5OS — CID 26643650

IUPACN-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C25H25N5OS/c1-18-11-10-16-22(19(18)2)30-25(26-27-28-30)32-17-23(31)29(3)24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,24H,17H2,1-3H3
InChIKeyUMRYLOJQPVSDAO-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.62
Rot. Bonds7

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

N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (PubChem CID 26643650) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
PubChem CID26643650
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C25H25N5OS/c1-18-11-10-16-22(19(18)2)30-25(26-27-28-30)32-17-23(31)29(3)24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,24H,17H2,1-3H3
InChIKeyUMRYLOJQPVSDAO-UHFFFAOYSA-N
XLogP4.62
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46669878
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8798833
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8798935
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37285792
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 8797844
1-(2,3-dimethylphenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8798481
2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42070616
1-(4-bromophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 30967494
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 16536113
2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
CID 46996075
[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
CID 56529201

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (CID 26643650) is N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is Cc1cccc(-n2nnnc2SCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The InChIKey is UMRYLOJQPVSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-18-11-10-16-22(19(18)2)30-25(26-27-28-30)32-17-23(31)29(3)24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,24H,17H2,1-3H3.
What are the key properties of N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide has a molecular weight of 443.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 26643650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).