N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

C18H22N2O2S2 — CID 87033749

IUPACN-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCCCc1nc(CSC(C)C(=O)Nc2ccc(C(C)=O)cc2)cs1
InChIInChI=1S/C18H22N2O2S2/c1-4-5-17-19-16(11-24-17)10-23-13(3)18(22)20-15-8-6-14(7-9-15)12(2)21/h6-9,11,13H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyHYDTWBFZELPXAW-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.56
Rot. Bonds8

About N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 87033749) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID87033749
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCCCc1nc(CSC(C)C(=O)Nc2ccc(C(C)=O)cc2)cs1
InChIInChI=1S/C18H22N2O2S2/c1-4-5-17-19-16(11-24-17)10-23-13(3)18(22)20-15-8-6-14(7-9-15)12(2)21/h6-9,11,13H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyHYDTWBFZELPXAW-UHFFFAOYSA-N
XLogP4.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 87033749) is N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is CCCc1nc(CSC(C)C(=O)Nc2ccc(C(C)=O)cc2)cs1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is HYDTWBFZELPXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-4-5-17-19-16(11-24-17)10-23-13(3)18(22)20-15-8-6-14(7-9-15)12(2)21/h6-9,11,13H,4-5,10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 362.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 87033749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).