(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide

C20H23N5O2S — CID 7464651

IUPAC(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(CC)cc1
InChIInChI=1S/C20H23N5O2S/c1-4-15-10-12-16(13-11-15)25-20(22-23-24-25)28-14(3)19(26)21-17-8-6-7-9-18(17)27-5-2/h6-14H,4-5H2,1-3H3,(H,21,26)/t14-/m1/s1
InChIKeyLKEVGLHQBBXXOS-CQSZACIVSA-N
MW397.50 g/mol
LogP3.74
Rot. Bonds8

About (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide

(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 7464651) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID7464651
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(CC)cc1
InChIInChI=1S/C20H23N5O2S/c1-4-15-10-12-16(13-11-15)25-20(22-23-24-25)28-14(3)19(26)21-17-8-6-7-9-18(17)27-5-2/h6-14H,4-5H2,1-3H3,(H,21,26)/t14-/m1/s1
InChIKeyLKEVGLHQBBXXOS-CQSZACIVSA-N
XLogP3.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 112773571
(2R)-N-(2-chlorophenyl)-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464828
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274459
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464653
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407787
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7455244
N-(2-chloro-4-fluorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16537001
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55368874
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
(2S)-N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462204
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 51234406
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16535787

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 7464651) is (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide is CCOc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(CC)cc1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is LKEVGLHQBBXXOS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-4-15-10-12-16(13-11-15)25-20(22-23-24-25)28-14(3)19(26)21-17-8-6-7-9-18(17)27-5-2/h6-14H,4-5H2,1-3H3,(H,21,26)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 397.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 7464651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).