2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide

C17H20N2O4S — CID 1245133

IUPAC2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2sc(C(C)C)cc2C(N)=O)c1OC
InChIInChI=1S/C17H20N2O4S/c1-9(2)13-8-11(15(18)20)17(24-13)19-16(21)10-6-5-7-12(22-3)14(10)23-4/h5-9H,1-4H3,(H2,18,20)(H,19,21)
InChIKeyRFVPUIBACZPPEE-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.24
Rot. Bonds6

About 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide

2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 1245133) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID1245133
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2sc(C(C)C)cc2C(N)=O)c1OC
InChIInChI=1S/C17H20N2O4S/c1-9(2)13-8-11(15(18)20)17(24-13)19-16(21)10-6-5-7-12(22-3)14(10)23-4/h5-9H,1-4H3,(H2,18,20)(H,19,21)
InChIKeyRFVPUIBACZPPEE-UHFFFAOYSA-N
XLogP3.24
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide (CID 1245133) is 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide is COc1cccc(C(=O)Nc2sc(C(C)C)cc2C(N)=O)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is RFVPUIBACZPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-9(2)13-8-11(15(18)20)17(24-13)19-16(21)10-6-5-7-12(22-3)14(10)23-4/h5-9H,1-4H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxybenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 1245133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).