N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide

C18H21Cl2N3O2S — CID 9117765

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N3O2S/c1-12-7-8-26-15(12)9-22(2)11-17(25)23(3)10-16(24)21-18-13(19)5-4-6-14(18)20/h4-8H,9-11H2,1-3H3,(H,21,24)
InChIKeyXEVYRPKRMVNKTL-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.89
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide (PubChem CID 9117765) has the molecular formula C18H21Cl2N3O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
PubChem CID9117765
Molecular FormulaC18H21Cl2N3O2S
Molecular Weight414.36 g/mol
Exact Mass413.07
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N3O2S/c1-12-7-8-26-15(12)9-22(2)11-17(25)23(3)10-16(24)21-18-13(19)5-4-6-14(18)20/h4-8H,9-11H2,1-3H3,(H,21,24)
InChIKeyXEVYRPKRMVNKTL-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide (CID 9117765) is N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide is Cc1ccsc1CN(C)CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide?
The InChIKey is XEVYRPKRMVNKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2S/c1-12-7-8-26-15(12)9-22(2)11-17(25)23(3)10-16(24)21-18-13(19)5-4-6-14(18)20/h4-8H,9-11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide has a molecular weight of 414.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 9117765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).