2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide

C10H13N3O3S2 — CID 106345606

IUPAC2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(C#N)s1)C(N)=O
InChIInChI=1S/C10H13N3O3S2/c1-6(2)9(10(12)14)13-18(15,16)8-4-3-7(5-11)17-8/h3-4,6,9,13H,1-2H3,(H2,12,14)
InChIKeyCLPHYBNVIOHPRH-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.41
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide

2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide (PubChem CID 106345606) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
PubChem CID106345606
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(C#N)s1)C(N)=O
InChIInChI=1S/C10H13N3O3S2/c1-6(2)9(10(12)14)13-18(15,16)8-4-3-7(5-11)17-8/h3-4,6,9,13H,1-2H3,(H2,12,14)
InChIKeyCLPHYBNVIOHPRH-UHFFFAOYSA-N
XLogP0.41
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114165907
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
CID 106265822

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide (CID 106345606) is 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1ccc(C#N)s1)C(N)=O.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide?
The InChIKey is CLPHYBNVIOHPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-6(2)9(10(12)14)13-18(15,16)8-4-3-7(5-11)17-8/h3-4,6,9,13H,1-2H3,(H2,12,14).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide?
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide has a molecular weight of 287.37 g/mol, XLogP of 0.41, 5 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]-3-methylbutanamide is sourced from PubChem (CID 106345606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).