(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide

C13H18Cl2N2O4S — CID 39882116

IUPAC(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O4S/c1-9(21-11-6-3-5-10(14)12(11)15)13(18)16-7-4-8-17-22(2,19)20/h3,5-6,9,17H,4,7-8H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyDIRTWOIOZRBAOS-SECBINFHSA-N
MW369.27 g/mol
LogP1.82
Rot. Bonds8

About (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide

(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide (PubChem CID 39882116) has the molecular formula C13H18Cl2N2O4S and a molecular weight of 369.27 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
PubChem CID39882116
Molecular FormulaC13H18Cl2N2O4S
Molecular Weight369.27 g/mol
Exact Mass368.04
IUPAC Name(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O4S/c1-9(21-11-6-3-5-10(14)12(11)15)13(18)16-7-4-8-17-22(2,19)20/h3,5-6,9,17H,4,7-8H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyDIRTWOIOZRBAOS-SECBINFHSA-N
XLogP1.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 55690448
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 46453867
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide
CID 119040450

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide (CID 39882116) is (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide is C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide?
The InChIKey is DIRTWOIOZRBAOS-SECBINFHSA-N. The full InChI is InChI=1S/C13H18Cl2N2O4S/c1-9(21-11-6-3-5-10(14)12(11)15)13(18)16-7-4-8-17-22(2,19)20/h3,5-6,9,17H,4,7-8H2,1-2H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide?
(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide has a molecular weight of 369.27 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide is sourced from PubChem (CID 39882116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).