N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide

C27H20ClN7O5S — CID 155528685

IUPACN-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide
SMILESNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1
InChIInChI=1S/C27H20ClN7O5S/c28-23-14-19(31-25(36)17-4-2-12-30-15-17)8-11-22(23)24-33-26(40-34-24)16-3-1-5-20(13-16)35-41(38,39)21-9-6-18(7-10-21)32-27(29)37/h1-15,35H,(H,31,36)(H3,29,32,37)
InChIKeyGQLWFSRQRKKZCL-UHFFFAOYSA-N
MW590.02 g/mol
LogP5.00
Rot. Bonds8

About N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide

N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide (PubChem CID 155528685) has the molecular formula C27H20ClN7O5S and a molecular weight of 590.02 g/mol. Its IUPAC name is N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide
PubChem CID155528685
Molecular FormulaC27H20ClN7O5S
Molecular Weight590.02 g/mol
Exact Mass589.09
IUPAC NameN-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide
SMILESNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1
InChIInChI=1S/C27H20ClN7O5S/c28-23-14-19(31-25(36)17-4-2-12-30-15-17)8-11-22(23)24-33-26(40-34-24)16-3-1-5-20(13-16)35-41(38,39)21-9-6-18(7-10-21)32-27(29)37/h1-15,35H,(H,31,36)(H3,29,32,37)
InChIKeyGQLWFSRQRKKZCL-UHFFFAOYSA-N
XLogP5.00
TPSA182.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.02
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide (CID 155528685) is N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide is NC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1.
What is the InChIKey of N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide?
The InChIKey is GQLWFSRQRKKZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN7O5S/c28-23-14-19(31-25(36)17-4-2-12-30-15-17)8-11-22(23)24-33-26(40-34-24)16-3-1-5-20(13-16)35-41(38,39)21-9-6-18(7-10-21)32-27(29)37/h1-15,35H,(H,31,36)(H3,29,32,37).
What are the key properties of N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide?
N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide has a molecular weight of 590.02 g/mol, XLogP of 5.00, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-[[4-(carbamoylamino)phenyl]sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155528685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).