2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide

C22H23N3O2S2 — CID 22830494

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(-c2csc(NC(=O)C(C)Sc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-4-16-5-7-17(8-6-16)20-13-28-22(24-20)25-21(27)14(2)29-19-11-9-18(10-12-19)23-15(3)26/h5-14H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeySCVNWNVRMMRESD-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.45
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 22830494) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID22830494
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(-c2csc(NC(=O)C(C)Sc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-4-16-5-7-17(8-6-16)20-13-28-22(24-20)25-21(27)14(2)29-19-11-9-18(10-12-19)23-15(3)26/h5-14H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeySCVNWNVRMMRESD-UHFFFAOYSA-N
XLogP5.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56570106
4-[4-[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 19713290
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24568436
N-[4-[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 19712011
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2-[[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713018
2-(4-aminophenyl)sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19630895
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 23772582
2-(4-aminophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19630104
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 22830494) is 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide is CCc1ccc(-c2csc(NC(=O)C(C)Sc3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SCVNWNVRMMRESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-4-16-5-7-17(8-6-16)20-13-28-22(24-20)25-21(27)14(2)29-19-11-9-18(10-12-19)23-15(3)26/h5-14H,4H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 425.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 22830494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).