2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

C19H18N4O4S2 — CID 16832895

IUPAC2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C19H18N4O4S2/c1-27-15-10-6-5-9-14(15)22-17(24)12-28-19-21-11-16(18(20)23-19)29(25,26)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,24)(H2,20,21,23)
InChIKeyVWAXWINWVYDGME-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 16832895) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID16832895
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C19H18N4O4S2/c1-27-15-10-6-5-9-14(15)22-17(24)12-28-19-21-11-16(18(20)23-19)29(25,26)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,24)(H2,20,21,23)
InChIKeyVWAXWINWVYDGME-UHFFFAOYSA-N
XLogP2.63
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 16832895) is 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1.
What is the InChIKey of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is VWAXWINWVYDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-27-15-10-6-5-9-14(15)22-17(24)12-28-19-21-11-16(18(20)23-19)29(25,26)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,24)(H2,20,21,23).
What are the key properties of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 16832895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).