2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C16H25N3O4S — CID 4671972

IUPAC2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-3-13(2)17-12-16(20)18-14-4-6-15(7-5-14)24(21,22)19-8-10-23-11-9-19/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyOJZGJFXCNLNZKG-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.03
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4671972) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4671972
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-3-13(2)17-12-16(20)18-14-4-6-15(7-5-14)24(21,22)19-8-10-23-11-9-19/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyOJZGJFXCNLNZKG-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-morpholin-4-ylsulfonylphenyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 42914099
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4671972) is 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CCC(C)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is OJZGJFXCNLNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-13(2)17-12-16(20)18-14-4-6-15(7-5-14)24(21,22)19-8-10-23-11-9-19/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4671972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).