(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide

C19H23N3O2S — CID 2093262

IUPAC(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13(25-18-11-7-15(8-12-18)20-14(2)23)19(24)21-16-5-9-17(10-6-16)22(3)4/h5-13H,1-4H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyZDGANLOLFZAIEE-CYBMUJFWSA-N
MW357.48 g/mol
LogP3.83
Rot. Bonds6

About (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide

(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 2093262) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID2093262
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13(25-18-11-7-15(8-12-18)20-14(2)23)19(24)21-16-5-9-17(10-6-16)22(3)4/h5-13H,1-4H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyZDGANLOLFZAIEE-CYBMUJFWSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
S-[4-[2-(4-acetamidophenyl)sulfanylpropanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56576789
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
(2S)-N-(4-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 7457638
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
(2R)-N-[4-(dimethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41036926
2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46630247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide (CID 2093262) is (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide is CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is ZDGANLOLFZAIEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(25-18-11-7-15(8-12-18)20-14(2)23)19(24)21-16-5-9-17(10-6-16)22(3)4/h5-13H,1-4H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 357.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 2093262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).