3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide

C24H39N3O5S — CID 24646126

IUPAC3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H39N3O5S/c1-18-15-26(16-19(2)32-18)24(3,4)17-25-23(28)20-10-11-21(31-5)22(14-20)33(29,30)27-12-8-6-7-9-13-27/h10-11,14,18-19H,6-9,12-13,15-17H2,1-5H3,(H,25,28)
InChIKeyITKAAJJMNDMDAK-UHFFFAOYSA-N
MW481.66 g/mol
LogP2.88
Rot. Bonds7

About 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide

3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide (PubChem CID 24646126) has the molecular formula C24H39N3O5S and a molecular weight of 481.66 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide
PubChem CID24646126
Molecular FormulaC24H39N3O5S
Molecular Weight481.66 g/mol
Exact Mass481.26
IUPAC Name3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H39N3O5S/c1-18-15-26(16-19(2)32-18)24(3,4)17-25-23(28)20-10-11-21(31-5)22(14-20)33(29,30)27-12-8-6-7-9-13-27/h10-11,14,18-19H,6-9,12-13,15-17H2,1-5H3,(H,25,28)
InChIKeyITKAAJJMNDMDAK-UHFFFAOYSA-N
XLogP2.88
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide with MolForge

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Related Compounds

propan-2-yl 2-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]acetate
CID 56536517
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261543
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 26880737
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(methylsulfamoyl)benzamide
CID 24646229
N-(1-amino-2-methylpropan-2-yl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 119522835
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide (CID 24646126) is 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide?
The InChIKey is ITKAAJJMNDMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O5S/c1-18-15-26(16-19(2)32-18)24(3,4)17-25-23(28)20-10-11-21(31-5)22(14-20)33(29,30)27-12-8-6-7-9-13-27/h10-11,14,18-19H,6-9,12-13,15-17H2,1-5H3,(H,25,28).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide?
3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide has a molecular weight of 481.66 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide is sourced from PubChem (CID 24646126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).