N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C22H23N3O2S2 — CID 17402951

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CSCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-15-4-3-5-18(10-15)12-28-14-21(27)25-22-24-20(13-29-22)19-8-6-17(7-9-19)11-23-16(2)26/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyBPXUWQRAEPTKQU-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.63
Rot. Bonds8

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 17402951) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID17402951
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CSCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-15-4-3-5-18(10-15)12-28-14-21(27)25-22-24-20(13-29-22)19-8-6-17(7-9-19)11-23-16(2)26/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyBPXUWQRAEPTKQU-UHFFFAOYSA-N
XLogP4.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-acetyl-5-methylfuran-2-yl)propanamide
CID 24506095
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18081156
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 17402951) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CSCc3cccc(C)c3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is BPXUWQRAEPTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15-4-3-5-18(10-15)12-28-14-21(27)25-22-24-20(13-29-22)19-8-6-17(7-9-19)11-23-16(2)26/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 425.58 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 17402951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).