2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

C16H25N3O4S — CID 110285240

IUPAC2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cccc(CS(=O)(=O)NCC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-14-3-2-4-15(11-14)13-24(21,22)18-12-16(20)17-5-6-19-7-9-23-10-8-19/h2-4,11,18H,5-10,12-13H2,1H3,(H,17,20)
InChIKeyUYLRPELKUKVAQD-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.14
Rot. Bonds8

About 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 110285240) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID110285240
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cccc(CS(=O)(=O)NCC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-14-3-2-4-15(11-14)13-24(21,22)18-12-16(20)17-5-6-19-7-9-23-10-8-19/h2-4,11,18H,5-10,12-13H2,1H3,(H,17,20)
InChIKeyUYLRPELKUKVAQD-UHFFFAOYSA-N
XLogP-0.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 20842918
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
CID 110287654
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003541
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
6-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 7235057

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 110285240) is 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is Cc1cccc(CS(=O)(=O)NCC(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is UYLRPELKUKVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-14-3-2-4-15(11-14)13-24(21,22)18-12-16(20)17-5-6-19-7-9-23-10-8-19/h2-4,11,18H,5-10,12-13H2,1H3,(H,17,20).
What are the key properties of 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 110285240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).