N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C16H18Cl2N2OS — CID 55364809

IUPACN-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCc1ccsc1CN(C)C(C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N2OS/c1-10-7-8-22-14(10)9-20(3)11(2)16(21)19-13-6-4-5-12(17)15(13)18/h4-8,11H,9H2,1-3H3,(H,19,21)
InChIKeyCODMJVNWOHQBCH-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.82
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 55364809) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
PubChem CID55364809
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC NameN-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCc1ccsc1CN(C)C(C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N2OS/c1-10-7-8-22-14(10)9-20(3)11(2)16(21)19-13-6-4-5-12(17)15(13)18/h4-8,11H,9H2,1-3H3,(H,19,21)
InChIKeyCODMJVNWOHQBCH-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 40952704
N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 17405259
3-[[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912127
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide
CID 40797726
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9389955
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434107
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434105
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 55364809) is N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is Cc1ccsc1CN(C)C(C)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The InChIKey is CODMJVNWOHQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-10-7-8-22-14(10)9-20(3)11(2)16(21)19-13-6-4-5-12(17)15(13)18/h4-8,11H,9H2,1-3H3,(H,19,21).
What are the key properties of N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 357.31 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 55364809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).