(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C17H22N4O2S — CID 9453544

IUPAC(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C17H22N4O2S/c1-11(2)21-16(9-10-18-21)20-17(23)12(3)24-15-7-5-14(6-8-15)19-13(4)22/h5-12H,1-4H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyCFPFEYSGIPPOST-GFCCVEGCSA-N
MW346.46 g/mol
LogP3.54
Rot. Bonds6

About (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 9453544) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID9453544
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C17H22N4O2S/c1-11(2)21-16(9-10-18-21)20-17(23)12(3)24-15-7-5-14(6-8-15)19-13(4)22/h5-12H,1-4H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyCFPFEYSGIPPOST-GFCCVEGCSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7553492
(2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8633747
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46583643
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
S-[4-[2-(4-acetamidophenyl)sulfanylpropanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56576789
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
(2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 41133228
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797066
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 9453544) is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1.
What is the InChIKey of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is CFPFEYSGIPPOST-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(2)21-16(9-10-18-21)20-17(23)12(3)24-15-7-5-14(6-8-15)19-13(4)22/h5-12H,1-4H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 346.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 9453544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).