2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide

C22H21N3O2S — CID 55951430

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C22H21N3O2S/c1-15(28-20-11-9-19(10-12-20)24-16(2)26)22(27)25-21-13-8-18(14-23-21)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyYEHXDWOJRYWLTH-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide

2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide (PubChem CID 55951430) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide
PubChem CID55951430
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C22H21N3O2S/c1-15(28-20-11-9-19(10-12-20)24-16(2)26)22(27)25-21-13-8-18(14-23-21)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyYEHXDWOJRYWLTH-UHFFFAOYSA-N
XLogP4.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-(5-chloro-2-pyridinyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 22780809
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
N-(4-phenylphenyl)acetamide
CID 19998
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55829286
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide (CID 55951430) is 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide is CC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide?
The InChIKey is YEHXDWOJRYWLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15(28-20-11-9-19(10-12-20)24-16(2)26)22(27)25-21-13-8-18(14-23-21)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,24,26)(H,23,25,27).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide?
2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide has a molecular weight of 391.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide is sourced from PubChem (CID 55951430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).