N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide

C15H22Cl2N2O4S — CID 142628085

IUPACN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide
SMILESCCC(C)C(NS(C)(=O)=O)C(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O4S/c1-4-9(2)14(19-24(3,22)23)15(21)18-8-13(20)11-6-5-10(16)7-12(11)17/h5-7,9,13-14,19-20H,4,8H2,1-3H3,(H,18,21)
InChIKeyPQLIBIZBWQPKSU-UHFFFAOYSA-N
MW397.32 g/mol
LogP2.11
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide (PubChem CID 142628085) has the molecular formula C15H22Cl2N2O4S and a molecular weight of 397.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide
PubChem CID142628085
Molecular FormulaC15H22Cl2N2O4S
Molecular Weight397.32 g/mol
Exact Mass396.07
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide
SMILESCCC(C)C(NS(C)(=O)=O)C(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O4S/c1-4-9(2)14(19-24(3,22)23)15(21)18-8-13(20)11-6-5-10(16)7-12(11)17/h5-7,9,13-14,19-20H,4,8H2,1-3H3,(H,18,21)
InChIKeyPQLIBIZBWQPKSU-UHFFFAOYSA-N
XLogP2.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
CID 142627842
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000203
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide (CID 142628085) is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide is CCC(C)C(NS(C)(=O)=O)C(=O)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide?
The InChIKey is PQLIBIZBWQPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O4S/c1-4-9(2)14(19-24(3,22)23)15(21)18-8-13(20)11-6-5-10(16)7-12(11)17/h5-7,9,13-14,19-20H,4,8H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide?
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide has a molecular weight of 397.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide is sourced from PubChem (CID 142628085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).