(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide

C12H15N5OS — CID 7365414

IUPAC(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
SMILESC[C@@H](Sc1nnnn1C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C12H15N5OS/c1-9(19-12-13-14-15-17(12)3)11(18)16(2)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1
InChIKeyCDOORNBIRSDIKT-SECBINFHSA-N
MW277.35 g/mol
LogP1.35
Rot. Bonds4

About (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide

(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide (PubChem CID 7365414) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
PubChem CID7365414
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
SMILESC[C@@H](Sc1nnnn1C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C12H15N5OS/c1-9(19-12-13-14-15-17(12)3)11(18)16(2)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1
InChIKeyCDOORNBIRSDIKT-SECBINFHSA-N
XLogP1.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide 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)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 2673778
(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072
(2S)-N-(2-cyanoethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7786223
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 8797844
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
CID 7845416
(2S)-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-phenylpropanamide
CID 40518760
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
(2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 2439999
(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 52887765
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
CID 3627469

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide (CID 7365414) is (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide is C[C@@H](Sc1nnnn1C)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is CDOORNBIRSDIKT-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9(19-12-13-14-15-17(12)3)11(18)16(2)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 7365414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).