(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide

C18H18Cl2FN3O4S — CID 24544880

IUPAC(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FN3O4S/c1-11(23-29(27,28)16-6-4-3-5-15(16)21)18(26)24(2)10-17(25)22-12-7-8-13(19)14(20)9-12/h3-9,11,23H,10H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyKDBWXEDONHXKCZ-NSHDSACASA-N
MW462.33 g/mol
LogP2.90
Rot. Bonds7

About (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide

(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 24544880) has the molecular formula C18H18Cl2FN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID24544880
Molecular FormulaC18H18Cl2FN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.04
IUPAC Name(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FN3O4S/c1-11(23-29(27,28)16-6-4-3-5-15(16)21)18(26)24(2)10-17(25)22-12-7-8-13(19)14(20)9-12/h3-9,11,23H,10H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyKDBWXEDONHXKCZ-NSHDSACASA-N
XLogP2.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide 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

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 38631592
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838290
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36999832
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 24544880) is (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is KDBWXEDONHXKCZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H18Cl2FN3O4S/c1-11(23-29(27,28)16-6-4-3-5-15(16)21)18(26)24(2)10-17(25)22-12-7-8-13(19)14(20)9-12/h3-9,11,23H,10H2,1-2H3,(H,22,25)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 462.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 24544880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).