2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C18H22ClN3O3S — CID 8787145

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-21(10-15-7-8-16(19)26-15)12-18(24)22(2)11-17(23)20-13-5-4-6-14(9-13)25-3/h4-9H,10-12H2,1-3H3,(H,20,23)
InChIKeyYMDQWCJTPGKCET-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.94
Rot. Bonds8

About 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8787145) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8787145
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-21(10-15-7-8-16(19)26-15)12-18(24)22(2)11-17(23)20-13-5-4-6-14(9-13)25-3/h4-9H,10-12H2,1-3H3,(H,20,23)
InChIKeyYMDQWCJTPGKCET-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
4-(5-chlorothiophen-2-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxobutanamide
CID 55369935
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 40752824

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8787145) is 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)CN(C)Cc2ccc(Cl)s2)c1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is YMDQWCJTPGKCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-21(10-15-7-8-16(19)26-15)12-18(24)22(2)11-17(23)20-13-5-4-6-14(9-13)25-3/h4-9H,10-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8787145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).