N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide

C18H21ClN4O5S — CID 55666824

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C18H21ClN4O5S/c1-22(11-17(24)21-15-9-13(19)6-7-16(15)28-3)18(25)12-23(2)29(26,27)14-5-4-8-20-10-14/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyCMEXPCDOANSNIV-UHFFFAOYSA-N
MW440.91 g/mol
LogP1.46
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide (PubChem CID 55666824) has the molecular formula C18H21ClN4O5S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide
PubChem CID55666824
Molecular FormulaC18H21ClN4O5S
Molecular Weight440.91 g/mol
Exact Mass440.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C18H21ClN4O5S/c1-22(11-17(24)21-15-9-13(19)6-7-16(15)28-3)18(25)12-23(2)29(26,27)14-5-4-8-20-10-14/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyCMEXPCDOANSNIV-UHFFFAOYSA-N
XLogP1.46
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55533606
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 9014966
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-pyridin-3-ylacetamide
CID 1148684
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]acetamide
CID 75514741
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide (CID 55666824) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide?
The InChIKey is CMEXPCDOANSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O5S/c1-22(11-17(24)21-15-9-13(19)6-7-16(15)28-3)18(25)12-23(2)29(26,27)14-5-4-8-20-10-14/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide has a molecular weight of 440.91 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 55666824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).