(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide

C13H17N5OS — CID 41260469

IUPAC(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
SMILESCCn1nnnc1S[C@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H17N5OS/c1-4-18-13(15-16-17-18)20-10(3)12(19)14-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,14,19)/t10-/m1/s1
InChIKeyGBRDCUGSHYGQCR-SNVBAGLBSA-N
MW291.38 g/mol
LogP2.12
Rot. Bonds5

About (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide

(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide (PubChem CID 41260469) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
PubChem CID41260469
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
SMILESCCn1nnnc1S[C@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H17N5OS/c1-4-18-13(15-16-17-18)20-10(3)12(19)14-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,14,19)/t10-/m1/s1
InChIKeyGBRDCUGSHYGQCR-SNVBAGLBSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7660959
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 51184636
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7802002
(2R)-N-(3-chloro-4-cyanophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 27144173
N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 46648435
N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46649990
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
CID 46641076
(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41236820
(2R)-N-(3-chlorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 1164217
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 7877912
N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
CID 60564109

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide (CID 41260469) is (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide is CCn1nnnc1S[C@H](C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide?
The InChIKey is GBRDCUGSHYGQCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-4-18-13(15-16-17-18)20-10(3)12(19)14-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,14,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide?
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 41260469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).