N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C16H21N3O3S2 — CID 25346591

IUPACN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)Cc2csc(NS(C)(=O)=O)n2)c1
InChIInChI=1S/C16H21N3O3S2/c1-10-5-6-11(2)14(7-10)12(3)17-15(20)8-13-9-23-16(18-13)19-24(4,21)22/h5-7,9,12H,8H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyJFFLNHMECLABPS-GFCCVEGCSA-N
MW367.50 g/mol
LogP2.55
Rot. Bonds6

About N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 25346591) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID25346591
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)Cc2csc(NS(C)(=O)=O)n2)c1
InChIInChI=1S/C16H21N3O3S2/c1-10-5-6-11(2)14(7-10)12(3)17-15(20)8-13-9-23-16(18-13)19-24(4,21)22/h5-7,9,12H,8H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyJFFLNHMECLABPS-GFCCVEGCSA-N
XLogP2.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 841018
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 25346591) is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is Cc1ccc(C)c([C@@H](C)NC(=O)Cc2csc(NS(C)(=O)=O)n2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is JFFLNHMECLABPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-10-5-6-11(2)14(7-10)12(3)17-15(20)8-13-9-23-16(18-13)19-24(4,21)22/h5-7,9,12H,8H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25346591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).