3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C23H30N4O5S — CID 24590411

IUPAC3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C23H30N4O5S/c1-31-20-8-6-18(16-21(20)33(29,30)27-10-4-2-3-5-11-27)23(28)25-19-7-9-22(24-17-19)26-12-14-32-15-13-26/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,28)
InChIKeyDRHPFYFHNYUWBP-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.74
Rot. Bonds6

About 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 24590411) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID24590411
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C23H30N4O5S/c1-31-20-8-6-18(16-21(20)33(29,30)27-10-4-2-3-5-11-27)23(28)25-19-7-9-22(24-17-19)26-12-14-32-15-13-26/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,28)
InChIKeyDRHPFYFHNYUWBP-UHFFFAOYSA-N
XLogP2.74
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide with MolForge

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Related Compounds

4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496293
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 24610746

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 24590411) is 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is DRHPFYFHNYUWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-31-20-8-6-18(16-21(20)33(29,30)27-10-4-2-3-5-11-27)23(28)25-19-7-9-22(24-17-19)26-12-14-32-15-13-26/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,28).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 474.58 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 24590411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).