2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide

C17H26ClN3O4S — CID 100563046

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN3O4S/c1-26(23,24)21(13-15-5-2-3-6-16(15)18)14-17(22)19-7-4-8-20-9-11-25-12-10-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,22)
InChIKeyIKSMOTFUGACMPY-UHFFFAOYSA-N
MW403.93 g/mol
LogP0.94
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 100563046) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID100563046
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN3O4S/c1-26(23,24)21(13-15-5-2-3-6-16(15)18)14-17(22)19-7-4-8-20-9-11-25-12-10-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,22)
InChIKeyIKSMOTFUGACMPY-UHFFFAOYSA-N
XLogP0.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 100727602
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113153386
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 100768080
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125076647
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91823037

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide (CID 100563046) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide is CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is IKSMOTFUGACMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O4S/c1-26(23,24)21(13-15-5-2-3-6-16(15)18)14-17(22)19-7-4-8-20-9-11-25-12-10-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,22).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 403.93 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 100563046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).