4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide

C21H33N3O6S — CID 55761995

IUPAC4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
SMILESCCOCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C21H33N3O6S/c1-2-28-11-4-6-21(25)23-20-15-18(31(26,27)24-9-13-29-14-10-24)7-8-19(20)22-16-17-5-3-12-30-17/h7-8,15,17,22H,2-6,9-14,16H2,1H3,(H,23,25)
InChIKeyMNHLDCJSQHQVRF-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.05
Rot. Bonds11

About 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide

4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide (PubChem CID 55761995) has the molecular formula C21H33N3O6S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
PubChem CID55761995
Molecular FormulaC21H33N3O6S
Molecular Weight455.58 g/mol
Exact Mass455.21
IUPAC Name4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
SMILESCCOCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C21H33N3O6S/c1-2-28-11-4-6-21(25)23-20-15-18(31(26,27)24-9-13-29-14-10-24)7-8-19(20)22-16-17-5-3-12-30-17/h7-8,15,17,22H,2-6,9-14,16H2,1H3,(H,23,25)
InChIKeyMNHLDCJSQHQVRF-UHFFFAOYSA-N
XLogP2.05
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55753197
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
CID 25347481
2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
CID 55365420
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55759411
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide?
The IUPAC name of 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide (CID 55761995) is 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide is CCOCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1.
What is the InChIKey of 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide?
The InChIKey is MNHLDCJSQHQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6S/c1-2-28-11-4-6-21(25)23-20-15-18(31(26,27)24-9-13-29-14-10-24)7-8-19(20)22-16-17-5-3-12-30-17/h7-8,15,17,22H,2-6,9-14,16H2,1H3,(H,23,25).
What are the key properties of 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide?
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide has a molecular weight of 455.58 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide is sourced from PubChem (CID 55761995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).