1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea

C20H15ClN4O4S2 — CID 20799934

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea
SMILESCNc1ccc2c(c1)C=C(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cn1)C2=O
InChIInChI=1S/C20H15ClN4O4S2/c1-22-12-2-4-14-11(8-12)9-15(19(14)26)16-5-3-13(10-23-16)24-20(27)25-31(28,29)18-7-6-17(21)30-18/h2-10,22H,1H3,(H2,24,25,27)
InChIKeyXGFFGSZPRZNZBE-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.09
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea (PubChem CID 20799934) has the molecular formula C20H15ClN4O4S2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea
PubChem CID20799934
Molecular FormulaC20H15ClN4O4S2
Molecular Weight474.95 g/mol
Exact Mass474.02
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea
SMILESCNc1ccc2c(c1)C=C(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cn1)C2=O
InChIInChI=1S/C20H15ClN4O4S2/c1-22-12-2-4-14-11(8-12)9-15(19(14)26)16-5-3-13(10-23-16)24-20(27)25-31(28,29)18-7-6-17(21)30-18/h2-10,22H,1H3,(H2,24,25,27)
InChIKeyXGFFGSZPRZNZBE-UHFFFAOYSA-N
XLogP4.09
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea (CID 20799934) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea is CNc1ccc2c(c1)C=C(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cn1)C2=O.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea?
The InChIKey is XGFFGSZPRZNZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4S2/c1-22-12-2-4-14-11(8-12)9-15(19(14)26)16-5-3-13(10-23-16)24-20(27)25-31(28,29)18-7-6-17(21)30-18/h2-10,22H,1H3,(H2,24,25,27).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea has a molecular weight of 474.95 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[5-(methylamino)-1-oxoinden-2-yl]-3-pyridinyl]urea is sourced from PubChem (CID 20799934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).