2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C19H27BrN2O3S — CID 26530759

IUPAC2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1cc(Br)ccc1NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H27BrN2O3S/c1-14-11-15(20)7-8-18(14)21-12-19(23)22(16-5-3-2-4-6-16)17-9-10-26(24,25)13-17/h7-8,11,16-17,21H,2-6,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyCWBHHZMVBKESIA-QGZVFWFLSA-N
MW443.41 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 26530759) has the molecular formula C19H27BrN2O3S and a molecular weight of 443.41 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID26530759
Molecular FormulaC19H27BrN2O3S
Molecular Weight443.41 g/mol
Exact Mass442.09
IUPAC Name2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1cc(Br)ccc1NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H27BrN2O3S/c1-14-11-15(20)7-8-18(14)21-12-19(23)22(16-5-3-2-4-6-16)17-9-10-26(24,25)13-17/h7-8,11,16-17,21H,2-6,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyCWBHHZMVBKESIA-QGZVFWFLSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-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-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
CID 51248896
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
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-bromobenzoate
CID 42978566
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 84602964
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 25362458
N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55565305
3-[4-(diethylamino)-2-methylanilino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 109028692
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520981
N-(4-bromo-2-methylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110863036
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 26530759) is 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is Cc1cc(Br)ccc1NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is CWBHHZMVBKESIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27BrN2O3S/c1-14-11-15(20)7-8-18(14)21-12-19(23)22(16-5-3-2-4-6-16)17-9-10-26(24,25)13-17/h7-8,11,16-17,21H,2-6,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 443.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 26530759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).