N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide

C20H18N4O5S2 — CID 55759302

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)o1
InChIInChI=1S/C20H18N4O5S2/c1-13(25)22-9-16-6-7-18(29-16)17-10-30-20(23-17)24-19(26)12-31(27,28)11-15-4-2-14(8-21)3-5-15/h2-7,10H,9,11-12H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyWHBRATIHRYCGNX-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.46
Rot. Bonds8

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide (PubChem CID 55759302) has the molecular formula C20H18N4O5S2 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
PubChem CID55759302
Molecular FormulaC20H18N4O5S2
Molecular Weight458.52 g/mol
Exact Mass458.07
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)o1
InChIInChI=1S/C20H18N4O5S2/c1-13(25)22-9-16-6-7-18(29-16)17-10-30-20(23-17)24-19(26)12-31(27,28)11-15-4-2-14(8-21)3-5-15/h2-7,10H,9,11-12H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyWHBRATIHRYCGNX-UHFFFAOYSA-N
XLogP2.46
TPSA142.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 55759563
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide
CID 47046898
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 35889870
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(4-tert-butylphenoxy)acetamide
CID 42378787
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78860988
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24570817
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42378438

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide (CID 55759302) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The InChIKey is WHBRATIHRYCGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S2/c1-13(25)22-9-16-6-7-18(29-16)17-10-30-20(23-17)24-19(26)12-31(27,28)11-15-4-2-14(8-21)3-5-15/h2-7,10H,9,11-12H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 55759302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).