N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide

C27H30N4O6S — CID 18537504

IUPACN-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H30N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,25,30H,16-18H2,1-2H3,(H,29,34)(H,31,33)
InChIKeyMOMCEXADCCCZFN-UHFFFAOYSA-N
MW538.63 g/mol
LogP2.68
Rot. Bonds13

About N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide

N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide (PubChem CID 18537504) has the molecular formula C27H30N4O6S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide
PubChem CID18537504
Molecular FormulaC27H30N4O6S
Molecular Weight538.63 g/mol
Exact Mass538.19
IUPAC NameN-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H30N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,25,30H,16-18H2,1-2H3,(H,29,34)(H,31,33)
InChIKeyMOMCEXADCCCZFN-UHFFFAOYSA-N
XLogP2.68
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide (CID 18537504) is N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide is CC(C)CC(NC(=O)c1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide?
The InChIKey is MOMCEXADCCCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,25,30H,16-18H2,1-2H3,(H,29,34)(H,31,33).
What are the key properties of N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide?
N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 2.68, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-[[2-oxo-3-[(4-phenoxyphenyl)sulfonylamino]propyl]amino]pentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 18537504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).