N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C21H25N5OS — CID 7531942

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H25N5OS/c1-5-14(2)17-11-6-7-12-18(17)22-19(27)13-28-21-23-24-25-26(21)20-15(3)9-8-10-16(20)4/h6-12,14H,5,13H2,1-4H3,(H,22,27)/t14-/m0/s1
InChIKeyRNBGTCFCVAKQMI-AWEZNQCLSA-N
MW395.53 g/mol
LogP4.52
Rot. Bonds7

About N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7531942) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7531942
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H25N5OS/c1-5-14(2)17-11-6-7-12-18(17)22-19(27)13-28-21-23-24-25-26(21)20-15(3)9-8-10-16(20)4/h6-12,14H,5,13H2,1-4H3,(H,22,27)/t14-/m0/s1
InChIKeyRNBGTCFCVAKQMI-AWEZNQCLSA-N
XLogP4.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26650117
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7845285
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 7660881
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 7660892
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
N-(4-acetylphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7660835
N-[(1S)-1-cyclopropylethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917176
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7533110
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8916888
2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 11669633
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375
N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11553194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7531942) is N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is CC[C@H](C)c1ccccc1NC(=O)CSc1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RNBGTCFCVAKQMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-5-14(2)17-11-6-7-12-18(17)22-19(27)13-28-21-23-24-25-26(21)20-15(3)9-8-10-16(20)4/h6-12,14H,5,13H2,1-4H3,(H,22,27)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 395.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7531942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).