N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide

C16H25N3O4S — CID 3157918

IUPACN-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCC(C)NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-13-3-5-15(6-4-13)24(21,22)17-11-14(2)18-16(20)12-19-7-9-23-10-8-19/h3-6,14,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyJVWPRRCYHZWGAO-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.11
Rot. Bonds7

About N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide

N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 3157918) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide
PubChem CID3157918
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCC(C)NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-13-3-5-15(6-4-13)24(21,22)17-11-14(2)18-16(20)12-19-7-9-23-10-8-19/h3-6,14,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyJVWPRRCYHZWGAO-UHFFFAOYSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide (CID 3157918) is N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide is Cc1ccc(S(=O)(=O)NCC(C)NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is JVWPRRCYHZWGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-3-5-15(6-4-13)24(21,22)17-11-14(2)18-16(20)12-19-7-9-23-10-8-19/h3-6,14,17H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide?
N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 355.46 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3157918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).