2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide

C10H13N3O3S2 — CID 106267367

IUPAC2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H13N3O3S2/c1-2-5-12-9(14)7-13-18(15,16)10-4-3-8(6-11)17-10/h3-4,13H,2,5,7H2,1H3,(H,12,14)
InChIKeyYLQGISYOOSKWJA-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.42
Rot. Bonds6

About 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide

2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide (PubChem CID 106267367) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
PubChem CID106267367
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H13N3O3S2/c1-2-5-12-9(14)7-13-18(15,16)10-4-3-8(6-11)17-10/h3-4,13H,2,5,7H2,1H3,(H,12,14)
InChIKeyYLQGISYOOSKWJA-UHFFFAOYSA-N
XLogP0.42
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
6-[(5-cyanothiophen-2-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106265633
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
CID 64899777
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide (CID 106267367) is 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide?
The InChIKey is YLQGISYOOSKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-2-5-12-9(14)7-13-18(15,16)10-4-3-8(6-11)17-10/h3-4,13H,2,5,7H2,1H3,(H,12,14).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide?
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide has a molecular weight of 287.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 106267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).