N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C19H27N5OS — CID 11911461

IUPACN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C
InChIInChI=1S/C19H27N5OS/c1-12-8-9-16(10-14(12)3)24-19(21-22-23-24)26-11-18(25)20-17-7-5-6-13(2)15(17)4/h8-10,13,15,17H,5-7,11H2,1-4H3,(H,20,25)/t13-,15-,17+/m0/s1
InChIKeyRUTSRSIPNNQYTA-JLJPHGGASA-N
MW373.53 g/mol
LogP3.31
Rot. Bonds5

About N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11911461) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11911461
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C
InChIInChI=1S/C19H27N5OS/c1-12-8-9-16(10-14(12)3)24-19(21-22-23-24)26-11-18(25)20-17-7-5-6-13(2)15(17)4/h8-10,13,15,17H,5-7,11H2,1-4H3,(H,20,25)/t13-,15-,17+/m0/s1
InChIKeyRUTSRSIPNNQYTA-JLJPHGGASA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

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Related Compounds

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 6600841
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11907546
N-(2,3-dimethylcyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3988913
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8858666
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 11916497
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 18146343
N-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066
N-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
CID 7661538
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 46642344
N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534560
N-cyclopentyl-2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 3229008

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 11911461) is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RUTSRSIPNNQYTA-JLJPHGGASA-N. The full InChI is InChI=1S/C19H27N5OS/c1-12-8-9-16(10-14(12)3)24-19(21-22-23-24)26-11-18(25)20-17-7-5-6-13(2)15(17)4/h8-10,13,15,17H,5-7,11H2,1-4H3,(H,20,25)/t13-,15-,17+/m0/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 373.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11911461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).