N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

C16H21N3O3S2 — CID 30942320

IUPACN-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CNC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C16H21N3O3S2/c1-11(2)9-17-15(20)8-13-10-23-16(19-13)18-12-4-6-14(7-5-12)24(3,21)22/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySJAFMRKHJAHQGA-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.60
Rot. Bonds7

About N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30942320) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30942320
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CNC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C16H21N3O3S2/c1-11(2)9-17-15(20)8-13-10-23-16(19-13)18-12-4-6-14(7-5-12)24(3,21)22/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySJAFMRKHJAHQGA-UHFFFAOYSA-N
XLogP2.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]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-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378029
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378023
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30860051
N,N,4-trimethyl-2-[[2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 30942275
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942245
2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883996
methyl 2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxylate
CID 115423211
N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
CID 30942475

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (CID 30942320) is N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is CC(C)CNC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is SJAFMRKHJAHQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-11(2)9-17-15(20)8-13-10-23-16(19-13)18-12-4-6-14(7-5-12)24(3,21)22/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30942320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).