(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

C19H19N5O3S — CID 26477999

IUPAC(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H19N5O3S/c1-12(25)14-8-10-15(11-9-14)20-18(26)13(2)28-19-21-22-23-24(19)16-6-4-5-7-17(16)27-3/h4-11,13H,1-3H3,(H,20,26)/t13-/m1/s1
InChIKeyHKUBDKFWKBBYDB-CYBMUJFWSA-N
MW397.46 g/mol
LogP2.99
Rot. Bonds7

About (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 26477999) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID26477999
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H19N5O3S/c1-12(25)14-8-10-15(11-9-14)20-18(26)13(2)28-19-21-22-23-24(19)16-6-4-5-7-17(16)27-3/h4-11,13H,1-3H3,(H,20,26)/t13-/m1/s1
InChIKeyHKUBDKFWKBBYDB-CYBMUJFWSA-N
XLogP2.99
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42108956
N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
(2R)-N-(4-acetylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7871639
N-(2-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650689
(2R)-N-(3-acetylphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2613776
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16536151
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
N-(2,3-dichlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16535943
(2S)-N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7449265
(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40860377
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 16560324
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 16535961

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 26477999) is (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is HKUBDKFWKBBYDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-12(25)14-8-10-15(11-9-14)20-18(26)13(2)28-19-21-22-23-24(19)16-6-4-5-7-17(16)27-3/h4-11,13H,1-3H3,(H,20,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 397.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 26477999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).