N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide

C21H21N3O2S2 — CID 1412311

IUPACN-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C21H21N3O2S2/c1-14-8-9-17(10-15(14)2)22-19(25)12-27-13-20(26)24-21-23-18(11-28-21)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeySHHXMEWZAFMSMU-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.74
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide

N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide (PubChem CID 1412311) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
PubChem CID1412311
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C21H21N3O2S2/c1-14-8-9-17(10-15(14)2)22-19(25)12-27-13-20(26)24-21-23-18(11-28-21)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeySHHXMEWZAFMSMU-UHFFFAOYSA-N
XLogP4.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]butanamide
CID 18899156
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
CID 2341123
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
CID 19727876
N-(3,4-dimethylphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 46269222
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
2-(2-morpholin-4-ylethylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 134064684
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846610

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide (CID 1412311) is N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
The InChIKey is SHHXMEWZAFMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-14-8-9-17(10-15(14)2)22-19(25)12-27-13-20(26)24-21-23-18(11-28-21)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide has a molecular weight of 411.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide is sourced from PubChem (CID 1412311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).