2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C15H25N3O4S — CID 71906938

IUPAC2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCc1cccnc1OC(C)C
InChIInChI=1S/C15H25N3O4S/c1-4-5-9-23(20,21)18-11-14(19)17-10-13-7-6-8-16-15(13)22-12(2)3/h6-8,12,18H,4-5,9-11H2,1-3H3,(H,17,19)
InChIKeyJJGXHFKCEOEBOY-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.20
Rot. Bonds10

About 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 71906938) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID71906938
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCc1cccnc1OC(C)C
InChIInChI=1S/C15H25N3O4S/c1-4-5-9-23(20,21)18-11-14(19)17-10-13-7-6-8-16-15(13)22-12(2)3/h6-8,12,18H,4-5,9-11H2,1-3H3,(H,17,19)
InChIKeyJJGXHFKCEOEBOY-UHFFFAOYSA-N
XLogP1.20
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-propan-2-yloxy-3-pyridinyl)methylsulfamoyl]butanoic acid
CID 61374419
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
2-(3-aminopyrazol-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 62113226
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55960898
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 71906938) is 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is CCCCS(=O)(=O)NCC(=O)NCc1cccnc1OC(C)C.
What is the InChIKey of 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is JJGXHFKCEOEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-4-5-9-23(20,21)18-11-14(19)17-10-13-7-6-8-16-15(13)22-12(2)3/h6-8,12,18H,4-5,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 1.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 71906938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).