2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide

C18H20Cl2N2O4S — CID 132669261

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(18(23)21-11-13-4-6-17(26-2)7-5-13)22(27(3,24)25)16-9-14(19)8-15(20)10-16/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyBBBOYOSFWQTBSL-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.47
Rot. Bonds7

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 132669261) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID132669261
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(18(23)21-11-13-4-6-17(26-2)7-5-13)22(27(3,24)25)16-9-14(19)8-15(20)10-16/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyBBBOYOSFWQTBSL-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132660625
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 132669260
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 132673428
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 51422980

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide (CID 132669261) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is BBBOYOSFWQTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-12(18(23)21-11-13-4-6-17(26-2)7-5-13)22(27(3,24)25)16-9-14(19)8-15(20)10-16/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 431.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 132669261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).