2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C17H18N6O3S — CID 8809264

IUPAC2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2ncc(C#N)c(N)n2)c1
InChIInChI=1S/C17H18N6O3S/c1-23(9-14(24)21-12-4-3-5-13(6-12)26-2)15(25)10-27-17-20-8-11(7-18)16(19)22-17/h3-6,8H,9-10H2,1-2H3,(H,21,24)(H2,19,20,22)
InChIKeyCEVUNBLHZDUEIP-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.13
Rot. Bonds7

About 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8809264) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8809264
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2ncc(C#N)c(N)n2)c1
InChIInChI=1S/C17H18N6O3S/c1-23(9-14(24)21-12-4-3-5-13(6-12)26-2)15(25)10-27-17-20-8-11(7-18)16(19)22-17/h3-6,8H,9-10H2,1-2H3,(H,21,24)(H2,19,20,22)
InChIKeyCEVUNBLHZDUEIP-UHFFFAOYSA-N
XLogP1.13
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 24686582
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8511461
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 55399523
2-[[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 35300406
N-(3-methoxyphenyl)-2-[methyl-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34773169
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8809264) is 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)CSc2ncc(C#N)c(N)n2)c1.
What is the InChIKey of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is CEVUNBLHZDUEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-23(9-14(24)21-12-4-3-5-13(6-12)26-2)15(25)10-27-17-20-8-11(7-18)16(19)22-17/h3-6,8H,9-10H2,1-2H3,(H,21,24)(H2,19,20,22).
What are the key properties of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 386.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8809264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).