3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C19H25N3O5S — CID 37485901

IUPAC3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2OC)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H25N3O5S/c1-19(2,3)22-28(24,25)16-11-13(8-9-15(16)26-4)17(23)21-12-14-7-6-10-20-18(14)27-5/h6-11,22H,12H2,1-5H3,(H,21,23)
InChIKeyGSDYSYFPOZGECN-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.11
Rot. Bonds7

About 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 37485901) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID37485901
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2OC)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H25N3O5S/c1-19(2,3)22-28(24,25)16-11-13(8-9-15(16)26-4)17(23)21-12-14-7-6-10-20-18(14)27-5/h6-11,22H,12H2,1-5H3,(H,21,23)
InChIKeyGSDYSYFPOZGECN-UHFFFAOYSA-N
XLogP2.11
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278
3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 39731063
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 31610027
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55780552
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866
methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
CID 55778080

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 37485901) is 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2cccnc2OC)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is GSDYSYFPOZGECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-19(2,3)22-28(24,25)16-11-13(8-9-15(16)26-4)17(23)21-12-14-7-6-10-20-18(14)27-5/h6-11,22H,12H2,1-5H3,(H,21,23).
What are the key properties of 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 407.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 37485901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).