2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide

C14H20Cl2N2O3S — CID 100564237

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-9(2)10(3)17-14(19)8-18(22(4,20)21)13-7-11(15)5-6-12(13)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyUSIHAYJXDUZPEV-JTQLQIEISA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 100564237) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID100564237
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-9(2)10(3)17-14(19)8-18(22(4,20)21)13-7-11(15)5-6-12(13)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyUSIHAYJXDUZPEV-JTQLQIEISA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-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

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915518
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100540514
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100570627
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 100564237) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide is CC(C)[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is USIHAYJXDUZPEV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-9(2)10(3)17-14(19)8-18(22(4,20)21)13-7-11(15)5-6-12(13)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 100564237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).