2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

C19H20N6O2S — CID 55832469

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C19H20N6O2S/c1-12(28-17-9-7-15(8-10-17)20-13(2)26)19(27)21-16-6-4-5-14(11-16)18-22-23-24-25(18)3/h4-12H,1-3H3,(H,20,26)(H,21,27)
InChIKeyDVJKFUVLYRIQEO-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (PubChem CID 55832469) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
PubChem CID55832469
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C19H20N6O2S/c1-12(28-17-9-7-15(8-10-17)20-13(2)26)19(27)21-16-6-4-5-14(11-16)18-22-23-24-25(18)3/h4-12H,1-3H3,(H,20,26)(H,21,27)
InChIKeyDVJKFUVLYRIQEO-UHFFFAOYSA-N
XLogP2.95
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 48782752
N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55497525
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26122706
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (CID 55832469) is 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is CC(=O)Nc1ccc(SC(C)C(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is DVJKFUVLYRIQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12(28-17-9-7-15(8-10-17)20-13(2)26)19(27)21-16-6-4-5-14(11-16)18-22-23-24-25(18)3/h4-12H,1-3H3,(H,20,26)(H,21,27).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 396.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 55832469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).