2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide

C14H21N3O2S — CID 874492

IUPAC2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)NC2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C14H21N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyVPHUDDMQKZWOGJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.92
Rot. Bonds3

About 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide

2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 874492) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
PubChem CID874492
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)NC2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C14H21N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyVPHUDDMQKZWOGJ-UHFFFAOYSA-N
XLogP2.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide (CID 874492) is 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)NC2CCCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is VPHUDDMQKZWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 874492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).