2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide

C20H20N2O3S — CID 167713877

IUPAC2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1
InChIInChI=1S/C20H20N2O3S/c1-20(2,3)12-6-4-11(5-7-12)18(25)22-19-16(17(21)24)14-9-8-13(23)10-15(14)26-19/h4-10,23H,1-3H3,(H2,21,24)(H,22,25)
InChIKeyNEUFQRWROQNLBN-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.26
Rot. Bonds3

About 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide

2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 167713877) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID167713877
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1
InChIInChI=1S/C20H20N2O3S/c1-20(2,3)12-6-4-11(5-7-12)18(25)22-19-16(17(21)24)14-9-8-13(23)10-15(14)26-19/h4-10,23H,1-3H3,(H2,21,24)(H,22,25)
InChIKeyNEUFQRWROQNLBN-UHFFFAOYSA-N
XLogP4.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide (CID 167713877) is 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is NEUFQRWROQNLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-20(2,3)12-6-4-11(5-7-12)18(25)22-19-16(17(21)24)14-9-8-13(23)10-15(14)26-19/h4-10,23H,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide?
2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 167713877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).