N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide

C25H23N3O3S — CID 69276128

IUPACN-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC(NC(=O)c2ccc3ncccc3c2)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-18-9-12-22(13-10-18)32(30,31)27-17-24(19-6-3-2-4-7-19)28-25(29)21-11-14-23-20(16-21)8-5-15-26-23/h2-16,24,27H,17H2,1H3,(H,28,29)
InChIKeyMBQPMMHHKOHISY-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.99
Rot. Bonds7

About N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide

N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide (PubChem CID 69276128) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide
PubChem CID69276128
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC(NC(=O)c2ccc3ncccc3c2)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-18-9-12-22(13-10-18)32(30,31)27-17-24(19-6-3-2-4-7-19)28-25(29)21-11-14-23-20(16-21)8-5-15-26-23/h2-16,24,27H,17H2,1H3,(H,28,29)
InChIKeyMBQPMMHHKOHISY-UHFFFAOYSA-N
XLogP3.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide (CID 69276128) is N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide is Cc1ccc(S(=O)(=O)NCC(NC(=O)c2ccc3ncccc3c2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide?
The InChIKey is MBQPMMHHKOHISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-18-9-12-22(13-10-18)32(30,31)27-17-24(19-6-3-2-4-7-19)28-25(29)21-11-14-23-20(16-21)8-5-15-26-23/h2-16,24,27H,17H2,1H3,(H,28,29).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide?
N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 69276128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).