3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H21N5O4S — CID 166888194

IUPAC3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cnn(C)c3)ccc2C)cn1
InChIInChI=1S/C19H21N5O4S/c1-13-4-5-15(19(25)21-9-14-10-22-24(2)12-14)8-17(13)23-29(26,27)16-6-7-18(28-3)20-11-16/h4-8,10-12,23H,9H2,1-3H3,(H,21,25)
InChIKeyPDQFAVJAFGJDHY-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.86
Rot. Bonds7

About 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 166888194) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID166888194
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cnn(C)c3)ccc2C)cn1
InChIInChI=1S/C19H21N5O4S/c1-13-4-5-15(19(25)21-9-14-10-22-24(2)12-14)8-17(13)23-29(26,27)16-6-7-18(28-3)20-11-16/h4-8,10-12,23H,9H2,1-3H3,(H,21,25)
InChIKeyPDQFAVJAFGJDHY-UHFFFAOYSA-N
XLogP1.86
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630370
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888076
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 150660844
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630388
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 166888194) is 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cnn(C)c3)ccc2C)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is PDQFAVJAFGJDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-13-4-5-15(19(25)21-9-14-10-22-24(2)12-14)8-17(13)23-29(26,27)16-6-7-18(28-3)20-11-16/h4-8,10-12,23H,9H2,1-3H3,(H,21,25).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 415.48 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 166888194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).