2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide

C14H18N2O4S — CID 60824642

IUPAC2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C14H18N2O4S/c1-2-9-15-14(18)11-16-21(19,20)13-8-4-3-6-12(13)7-5-10-17/h3-4,6,8,16-17H,2,9-11H2,1H3,(H,15,18)
InChIKeyRDBMJBUBHAHQJO-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.17
Rot. Bonds6

About 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide

2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide (PubChem CID 60824642) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
PubChem CID60824642
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C14H18N2O4S/c1-2-9-15-14(18)11-16-21(19,20)13-8-4-3-6-12(13)7-5-10-17/h3-4,6,8,16-17H,2,9-11H2,1H3,(H,15,18)
InChIKeyRDBMJBUBHAHQJO-UHFFFAOYSA-N
XLogP-0.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863085
2-(3-hydroxyprop-1-ynyl)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 60844580
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 62094388
2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461984
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60845011
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63963966
2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 60844819
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide (CID 60824642) is 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccccc1C#CCO.
What is the InChIKey of 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide?
The InChIKey is RDBMJBUBHAHQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-9-15-14(18)11-16-21(19,20)13-8-4-3-6-12(13)7-5-10-17/h3-4,6,8,16-17H,2,9-11H2,1H3,(H,15,18).
What are the key properties of 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide?
2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide has a molecular weight of 310.38 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 60824642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).