2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide

C14H18N2O4S — CID 61466477

IUPAC2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cccc(C#CCCO)c1
InChIInChI=1S/C14H18N2O4S/c1-11(14(18)15-2)16-21(19,20)13-8-5-7-12(10-13)6-3-4-9-17/h5,7-8,10-11,16-17H,4,9H2,1-2H3,(H,15,18)
InChIKeyIEIYDGZFMNOALB-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.17
Rot. Bonds5

About 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide

2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide (PubChem CID 61466477) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide
PubChem CID61466477
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cccc(C#CCCO)c1
InChIInChI=1S/C14H18N2O4S/c1-11(14(18)15-2)16-21(19,20)13-8-5-7-12(10-13)6-3-4-9-17/h5,7-8,10-11,16-17H,4,9H2,1-2H3,(H,15,18)
InChIKeyIEIYDGZFMNOALB-UHFFFAOYSA-N
XLogP-0.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 61479211
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822722
N-[3-(dimethylamino)propyl]-3-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60823071
3-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466225
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
3-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 60843908
3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015509
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 54926250
2-[[4-(3-aminoprop-1-ynyl)-2-chlorophenyl]sulfonylamino]-N-methylpropanamide
CID 61466088
4-[3-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816397
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide (CID 61466477) is 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1cccc(C#CCCO)c1.
What is the InChIKey of 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide?
The InChIKey is IEIYDGZFMNOALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11(14(18)15-2)16-21(19,20)13-8-5-7-12(10-13)6-3-4-9-17/h5,7-8,10-11,16-17H,4,9H2,1-2H3,(H,15,18).
What are the key properties of 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide?
2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide has a molecular weight of 310.38 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 61466477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).