N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide

C19H17ClN4O4S2 — CID 11597887

IUPACN-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ncc2c(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C19H17ClN4O4S2/c1-28-15-5-3-2-4-13(15)18(25)23-19-21-10-12-11-24(9-8-14(12)22-19)30(26,27)17-7-6-16(20)29-17/h2-7,10H,8-9,11H2,1H3,(H,21,22,23,25)
InChIKeyABHYBSVRCYCOKG-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.20
Rot. Bonds5

About N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide

N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide (PubChem CID 11597887) has the molecular formula C19H17ClN4O4S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
PubChem CID11597887
Molecular FormulaC19H17ClN4O4S2
Molecular Weight464.96 g/mol
Exact Mass464.04
IUPAC NameN-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ncc2c(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C19H17ClN4O4S2/c1-28-15-5-3-2-4-13(15)18(25)23-19-21-10-12-11-24(9-8-14(12)22-19)30(26,27)17-7-6-16(20)29-17/h2-7,10H,8-9,11H2,1H3,(H,21,22,23,25)
InChIKeyABHYBSVRCYCOKG-UHFFFAOYSA-N
XLogP3.20
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide (CID 11597887) is N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ncc2c(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2.
What is the InChIKey of N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
The InChIKey is ABHYBSVRCYCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S2/c1-28-15-5-3-2-4-13(15)18(25)23-19-21-10-12-11-24(9-8-14(12)22-19)30(26,27)17-7-6-16(20)29-17/h2-7,10H,8-9,11H2,1H3,(H,21,22,23,25).
What are the key properties of N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide has a molecular weight of 464.96 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 11597887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).