N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide

C19H27N3O4S — CID 24642334

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C19H27N3O4S/c1-4-8-21-27(24,25)18-7-5-6-16(11-18)19(23)20-12-17-14-22(9-10-26-17)13-15(2)3/h1,5-7,11,15,17,21H,8-10,12-14H2,2-3H3,(H,20,23)
InChIKeyFCZMJGHVILBQNQ-UHFFFAOYSA-N
MW393.51 g/mol
LogP0.68
Rot. Bonds8

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 24642334) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID24642334
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C19H27N3O4S/c1-4-8-21-27(24,25)18-7-5-6-16(11-18)19(23)20-12-17-14-22(9-10-26-17)13-15(2)3/h1,5-7,11,15,17,21H,8-10,12-14H2,2-3H3,(H,20,23)
InChIKeyFCZMJGHVILBQNQ-UHFFFAOYSA-N
XLogP0.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 43017063
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55652238
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24560165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 24642334) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CN(CC(C)C)CCO2)c1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is FCZMJGHVILBQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-8-21-27(24,25)18-7-5-6-16(11-18)19(23)20-12-17-14-22(9-10-26-17)13-15(2)3/h1,5-7,11,15,17,21H,8-10,12-14H2,2-3H3,(H,20,23).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 24642334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).