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

C18H21N5OS2 — CID 8799080

IUPAC(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCc2cccs2)c1C
InChIInChI=1S/C18H21N5OS2/c1-12-6-4-8-16(13(12)2)23-18(20-21-22-23)26-14(3)17(24)19-10-9-15-7-5-11-25-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,24)/t14-/m1/s1
InChIKeyXHTGAHHJCIHDBY-CQSZACIVSA-N
MW387.53 g/mol
LogP3.18
Rot. Bonds7

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

(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 8799080) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID8799080
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCc2cccs2)c1C
InChIInChI=1S/C18H21N5OS2/c1-12-6-4-8-16(13(12)2)23-18(20-21-22-23)26-14(3)17(24)19-10-9-15-7-5-11-25-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,24)/t14-/m1/s1
InChIKeyXHTGAHHJCIHDBY-CQSZACIVSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8797859
N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46630197
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 8797973
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 51184636
(2S)-N-(2-chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42497225
N-(2,4-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51236439
(2R)-N-(2-chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42497224
(2R)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 26297793
(2R)-2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 125142463
(2S)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 8799309
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 8797844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (CID 8799080) is (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCc2cccs2)c1C.
What is the InChIKey of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is XHTGAHHJCIHDBY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-12-6-4-8-16(13(12)2)23-18(20-21-22-23)26-14(3)17(24)19-10-9-15-7-5-11-25-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 387.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 8799080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).