N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide

C29H27N3O5S — CID 139634763

IUPACN-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NC(=O)c2ccc(COCc3ccccc3)nc2)cc1
InChIInChI=1S/C29H27N3O5S/c33-28(30-18-17-22-7-3-1-4-8-22)24-12-15-27(16-13-24)38(35,36)32-29(34)25-11-14-26(31-19-25)21-37-20-23-9-5-2-6-10-23/h1-16,19H,17-18,20-21H2,(H,30,33)(H,32,34)
InChIKeyMGRWYCDKPORIIC-UHFFFAOYSA-N
MW529.62 g/mol
LogP3.89
Rot. Bonds11

About N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide

N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide (PubChem CID 139634763) has the molecular formula C29H27N3O5S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
PubChem CID139634763
Molecular FormulaC29H27N3O5S
Molecular Weight529.62 g/mol
Exact Mass529.17
IUPAC NameN-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NC(=O)c2ccc(COCc3ccccc3)nc2)cc1
InChIInChI=1S/C29H27N3O5S/c33-28(30-18-17-22-7-3-1-4-8-22)24-12-15-27(16-13-24)38(35,36)32-29(34)25-11-14-26(31-19-25)21-37-20-23-9-5-2-6-10-23/h1-16,19H,17-18,20-21H2,(H,30,33)(H,32,34)
InChIKeyMGRWYCDKPORIIC-UHFFFAOYSA-N
XLogP3.89
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide
CID 139630422
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749385
N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 67866392
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide (CID 139634763) is N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NC(=O)c2ccc(COCc3ccccc3)nc2)cc1.
What is the InChIKey of N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
The InChIKey is MGRWYCDKPORIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5S/c33-28(30-18-17-22-7-3-1-4-8-22)24-12-15-27(16-13-24)38(35,36)32-29(34)25-11-14-26(31-19-25)21-37-20-23-9-5-2-6-10-23/h1-16,19H,17-18,20-21H2,(H,30,33)(H,32,34).
What are the key properties of N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide has a molecular weight of 529.62 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139634763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).