2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide

C14H16N2O2S2 — CID 35283019

IUPAC2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCc1ccsc1C(=O)Nc1sc(C(C)C)cc1C(N)=O
InChIInChI=1S/C14H16N2O2S2/c1-7(2)10-6-9(12(15)17)14(20-10)16-13(18)11-8(3)4-5-19-11/h4-7H,1-3H3,(H2,15,17)(H,16,18)
InChIKeyXAGJZQNTOKNRBH-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.59
Rot. Bonds4

About 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide

2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 35283019) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID35283019
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCc1ccsc1C(=O)Nc1sc(C(C)C)cc1C(N)=O
InChIInChI=1S/C14H16N2O2S2/c1-7(2)10-6-9(12(15)17)14(20-10)16-13(18)11-8(3)4-5-19-11/h4-7H,1-3H3,(H2,15,17)(H,16,18)
InChIKeyXAGJZQNTOKNRBH-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide (CID 35283019) is 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide is Cc1ccsc1C(=O)Nc1sc(C(C)C)cc1C(N)=O.
What is the InChIKey of 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is XAGJZQNTOKNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-7(2)10-6-9(12(15)17)14(20-10)16-13(18)11-8(3)4-5-19-11/h4-7H,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 35283019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).