(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide

C16H24Cl2N2O4S — CID 8991605

IUPAC(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H24Cl2N2O4S/c1-11(2)24-9-5-8-19-16(21)12(3)20(25(4,22)23)15-10-13(17)6-7-14(15)18/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeySAJIEIXDXDKODD-GFCCVEGCSA-N
MW411.35 g/mol
LogP3.08
Rot. Bonds9

About (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 8991605) has the molecular formula C16H24Cl2N2O4S and a molecular weight of 411.35 g/mol. Its IUPAC name is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID8991605
Molecular FormulaC16H24Cl2N2O4S
Molecular Weight411.35 g/mol
Exact Mass410.08
IUPAC Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H24Cl2N2O4S/c1-11(2)24-9-5-8-19-16(21)12(3)20(25(4,22)23)15-10-13(17)6-7-14(15)18/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeySAJIEIXDXDKODD-GFCCVEGCSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide 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-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165900
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133229314
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 19061986
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide (CID 8991605) is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is SAJIEIXDXDKODD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24Cl2N2O4S/c1-11(2)24-9-5-8-19-16(21)12(3)20(25(4,22)23)15-10-13(17)6-7-14(15)18/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 411.35 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 8991605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).