N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide

C19H27FN2O3S — CID 51248896

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C19H27FN2O3S/c1-14-7-8-18(17(20)11-14)21-12-19(23)22(15-5-3-2-4-6-15)16-9-10-26(24,25)13-16/h7-8,11,15-16,21H,2-6,9-10,12-13H2,1H3
InChIKeyNBCPAGJHZHUHSY-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.89
Rot. Bonds5

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide (PubChem CID 51248896) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
PubChem CID51248896
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C19H27FN2O3S/c1-14-7-8-18(17(20)11-14)21-12-19(23)22(15-5-3-2-4-6-15)16-9-10-26(24,25)13-16/h7-8,11,15-16,21H,2-6,9-10,12-13H2,1H3
InChIKeyNBCPAGJHZHUHSY-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)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

2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 26530759
2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42919595
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583286
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 25362458
2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46824899
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
CID 136529605
N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55565305
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873265
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55390046
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide (CID 51248896) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)c(F)c1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide?
The InChIKey is NBCPAGJHZHUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-14-7-8-18(17(20)11-14)21-12-19(23)22(15-5-3-2-4-6-15)16-9-10-26(24,25)13-16/h7-8,11,15-16,21H,2-6,9-10,12-13H2,1H3.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide has a molecular weight of 382.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 51248896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).