5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

C25H34N2O5S — CID 133184802

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H34N2O5S/c1-5-22(19-10-12-23(31-3)18(2)16-19)26-25(28)21-17-20(11-13-24(21)32-4)33(29,30)27-14-8-6-7-9-15-27/h10-13,16-17,22H,5-9,14-15H2,1-4H3,(H,26,28)
InChIKeyPVAAJJLMZAHLRM-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.46
Rot. Bonds8

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 133184802) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID133184802
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H34N2O5S/c1-5-22(19-10-12-23(31-3)18(2)16-19)26-25(28)21-17-20(11-13-24(21)32-4)33(29,30)27-14-8-6-7-9-15-27/h10-13,16-17,22H,5-9,14-15H2,1-4H3,(H,26,28)
InChIKeyPVAAJJLMZAHLRM-UHFFFAOYSA-N
XLogP4.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
CID 92672265
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 94012354
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzamide
CID 100531608
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 30382454
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604
2-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 30397953
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191413
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133159976
2-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 93486304

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 133184802) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is CCC(NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccc(OC)c(C)c1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is PVAAJJLMZAHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-5-22(19-10-12-23(31-3)18(2)16-19)26-25(28)21-17-20(11-13-24(21)32-4)33(29,30)27-14-8-6-7-9-15-27/h10-13,16-17,22H,5-9,14-15H2,1-4H3,(H,26,28).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 474.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 133184802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).