N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide

C27H25ClN4O4S — CID 122429342

IUPACN-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(c1nnc(-c2ccc(OC)cc2)o1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C27H25ClN4O4S/c1-4-27(19-10-12-20(28)13-11-19,26-30-29-25(36-26)18-8-14-21(35-2)15-9-18)32-17-16-22-23(31-37(3,33)34)6-5-7-24(22)32/h5-17,31H,4H2,1-3H3
InChIKeyKYECANWYWLBWDR-UHFFFAOYSA-N
MW537.04 g/mol
LogP5.93
Rot. Bonds8

About N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide

N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide (PubChem CID 122429342) has the molecular formula C27H25ClN4O4S and a molecular weight of 537.04 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
PubChem CID122429342
Molecular FormulaC27H25ClN4O4S
Molecular Weight537.04 g/mol
Exact Mass536.13
IUPAC NameN-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(c1nnc(-c2ccc(OC)cc2)o1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C27H25ClN4O4S/c1-4-27(19-10-12-20(28)13-11-19,26-30-29-25(36-26)18-8-14-21(35-2)15-9-18)32-17-16-22-23(31-37(3,33)34)6-5-7-24(22)32/h5-17,31H,4H2,1-3H3
InChIKeyKYECANWYWLBWDR-UHFFFAOYSA-N
XLogP5.93
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide (CID 122429342) is N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide is CCC(c1ccc(Cl)cc1)(c1nnc(-c2ccc(OC)cc2)o1)n1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
The InChIKey is KYECANWYWLBWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O4S/c1-4-27(19-10-12-20(28)13-11-19,26-30-29-25(36-26)18-8-14-21(35-2)15-9-18)32-17-16-22-23(31-37(3,33)34)6-5-7-24(22)32/h5-17,31H,4H2,1-3H3.
What are the key properties of N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide has a molecular weight of 537.04 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 122429342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).