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

C24H37N3O6S — CID 55759411

IUPACN-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1
InChIInChI=1S/C24H37N3O6S/c28-24(9-15-32-19-20-6-5-14-33-20)25-22-18-21(34(29,30)27-12-16-31-17-13-27)7-8-23(22)26-10-3-1-2-4-11-26/h7-8,18,20H,1-6,9-17,19H2,(H,25,28)
InChIKeyJTSJAXAQUBMLTK-UHFFFAOYSA-N
MW495.64 g/mol
LogP2.61
Rot. Bonds9

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

N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55759411) has the molecular formula C24H37N3O6S and a molecular weight of 495.64 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55759411
Molecular FormulaC24H37N3O6S
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC NameN-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1
InChIInChI=1S/C24H37N3O6S/c28-24(9-15-32-19-20-6-5-14-33-20)25-22-18-21(34(29,30)27-12-16-31-17-13-27)7-8-23(22)26-10-3-1-2-4-11-26/h7-8,18,20H,1-6,9-17,19H2,(H,25,28)
InChIKeyJTSJAXAQUBMLTK-UHFFFAOYSA-N
XLogP2.61
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55753197
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 41152617
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
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
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 55759411) is N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide is O=C(CCOCC1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is JTSJAXAQUBMLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O6S/c28-24(9-15-32-19-20-6-5-14-33-20)25-22-18-21(34(29,30)27-12-16-31-17-13-27)7-8-23(22)26-10-3-1-2-4-11-26/h7-8,18,20H,1-6,9-17,19H2,(H,25,28).
What are the key properties of N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 495.64 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55759411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).