N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide

C23H37N3O5S — CID 55687311

IUPACN-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1
InChIInChI=1S/C23H37N3O5S/c1-19(2)18-31-14-9-23(27)24-21-17-20(32(28,29)26-12-15-30-16-13-26)7-8-22(21)25-10-5-3-4-6-11-25/h7-8,17,19H,3-6,9-16,18H2,1-2H3,(H,24,27)
InChIKeyQWQGMXVNEPKTJP-UHFFFAOYSA-N
MW467.63 g/mol
LogP3.09
Rot. Bonds9

About N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide

N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 55687311) has the molecular formula C23H37N3O5S and a molecular weight of 467.63 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
PubChem CID55687311
Molecular FormulaC23H37N3O5S
Molecular Weight467.63 g/mol
Exact Mass467.25
IUPAC NameN-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1
InChIInChI=1S/C23H37N3O5S/c1-19(2)18-31-14-9-23(27)24-21-17-20(32(28,29)26-12-15-30-16-13-26)7-8-22(21)25-10-5-3-4-6-11-25/h7-8,17,19H,3-6,9-16,18H2,1-2H3,(H,24,27)
InChIKeyQWQGMXVNEPKTJP-UHFFFAOYSA-N
XLogP3.09
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55759411
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55753197
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957
3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 4968881
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55688252
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide (CID 55687311) is N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is QWQGMXVNEPKTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O5S/c1-19(2)18-31-14-9-23(27)24-21-17-20(32(28,29)26-12-15-30-16-13-26)7-8-22(21)25-10-5-3-4-6-11-25/h7-8,17,19H,3-6,9-16,18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide?
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 467.63 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 55687311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).