4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

C24H27N3O5S — CID 46466460

IUPAC4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H27N3O5S/c1-17(2)27-33(29,30)22-14-20(9-10-21(22)31-3)24(28)26-15-19-11-12-25-23(13-19)32-16-18-7-5-4-6-8-18/h4-14,17,27H,15-16H2,1-3H3,(H,26,28)
InChIKeyUAFZFPRDYHIMPY-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.29
Rot. Bonds10

About 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46466460) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46466460
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H27N3O5S/c1-17(2)27-33(29,30)22-14-20(9-10-21(22)31-3)24(28)26-15-19-11-12-25-23(13-19)32-16-18-7-5-4-6-8-18/h4-14,17,27H,15-16H2,1-3H3,(H,26,28)
InChIKeyUAFZFPRDYHIMPY-UHFFFAOYSA-N
XLogP3.29
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 24623168
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46475804
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 55707101
(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 16598631
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 46466460) is 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is UAFZFPRDYHIMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-17(2)27-33(29,30)22-14-20(9-10-21(22)31-3)24(28)26-15-19-11-12-25-23(13-19)32-16-18-7-5-4-6-8-18/h4-14,17,27H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 469.56 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46466460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).