(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H21N7O2S — CID 8743033

IUPAC(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H21N7O2S/c1-10-15(11(2)23(4)20-10)18-16(25)12(3)27-17-19-21-22-24(17)13-6-8-14(26-5)9-7-13/h6-9,12H,1-5H3,(H,18,25)/t12-/m0/s1
InChIKeyMBURXOVKOQAUQQ-LBPRGKRZSA-N
MW387.47 g/mol
LogP2.14
Rot. Bonds6

About (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 8743033) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID8743033
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H21N7O2S/c1-10-15(11(2)23(4)20-10)18-16(25)12(3)27-17-19-21-22-24(17)13-6-8-14(26-5)9-7-13/h6-9,12H,1-5H3,(H,18,25)/t12-/m0/s1
InChIKeyMBURXOVKOQAUQQ-LBPRGKRZSA-N
XLogP2.14
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654
(2S)-N-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464728
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 16569702
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 18289109
(2S)-N-(2-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464745
N-(4-methoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500522
(2S)-N-(2-cyanophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2618684
(2R)-N-(2,5-dichlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2618637
(2S)-1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7863785
(2S)-N-[(4-methoxyphenyl)methyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8684400
(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40941826
(2R)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 8743033) is (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is MBURXOVKOQAUQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-10-15(11(2)23(4)20-10)18-16(25)12(3)27-17-19-21-22-24(17)13-6-8-14(26-5)9-7-13/h6-9,12H,1-5H3,(H,18,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 387.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 8743033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).