N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide

C12H17NO3S2 — CID 136546728

IUPACN-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide
SMILESCCC1(S(=O)(=O)NC(=O)c2csc(C)c2C)CC1
InChIInChI=1S/C12H17NO3S2/c1-4-12(5-6-12)18(15,16)13-11(14)10-7-17-9(3)8(10)2/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyCPYWOCSECSMNCU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.37
Rot. Bonds4

About N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide

N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide (PubChem CID 136546728) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide
PubChem CID136546728
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC NameN-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide
SMILESCCC1(S(=O)(=O)NC(=O)c2csc(C)c2C)CC1
InChIInChI=1S/C12H17NO3S2/c1-4-12(5-6-12)18(15,16)13-11(14)10-7-17-9(3)8(10)2/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyCPYWOCSECSMNCU-UHFFFAOYSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide (CID 136546728) is N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide is CCC1(S(=O)(=O)NC(=O)c2csc(C)c2C)CC1.
What is the InChIKey of N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is CPYWOCSECSMNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-4-12(5-6-12)18(15,16)13-11(14)10-7-17-9(3)8(10)2/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide?
N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclopropyl)sulfonyl-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 136546728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).