5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide

C20H34N4O4S — CID 5161419

IUPAC5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCCCS(=O)(=O)Nc1ccc(N(C)C)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C20H34N4O4S/c1-4-5-15-29(26,27)22-17-7-8-19(23(2)3)18(16-17)20(25)21-9-6-10-24-11-13-28-14-12-24/h7-8,16,22H,4-6,9-15H2,1-3H3,(H,21,25)
InChIKeyHGVRSHGWLFDJLN-UHFFFAOYSA-N
MW426.58 g/mol
LogP1.75
Rot. Bonds11

About 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide

5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 5161419) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID5161419
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCCCS(=O)(=O)Nc1ccc(N(C)C)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C20H34N4O4S/c1-4-5-15-29(26,27)22-17-7-8-19(23(2)3)18(16-17)20(25)21-9-6-10-24-11-13-28-14-12-24/h7-8,16,22H,4-6,9-15H2,1-3H3,(H,21,25)
InChIKeyHGVRSHGWLFDJLN-UHFFFAOYSA-N
XLogP1.75
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30150418
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
CID 113010893
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide (CID 5161419) is 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide is CCCCS(=O)(=O)Nc1ccc(N(C)C)c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is HGVRSHGWLFDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-4-5-15-29(26,27)22-17-7-8-19(23(2)3)18(16-17)20(25)21-9-6-10-24-11-13-28-14-12-24/h7-8,16,22H,4-6,9-15H2,1-3H3,(H,21,25).
What are the key properties of 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 426.58 g/mol, XLogP of 1.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 5161419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).