N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C20H18N2O4S — CID 1078727

IUPACN-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-25-16-9-8-13(11-17(16)26-2)19(23)21-14-5-3-6-15(12-14)22-20(24)18-7-4-10-27-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDIXYEHIPLZUJIV-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.27
Rot. Bonds6

About N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1078727) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1078727
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-25-16-9-8-13(11-17(16)26-2)19(23)21-14-5-3-6-15(12-14)22-20(24)18-7-4-10-27-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDIXYEHIPLZUJIV-UHFFFAOYSA-N
XLogP4.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 1078727) is N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC.
What is the InChIKey of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is DIXYEHIPLZUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-16-9-8-13(11-17(16)26-2)19(23)21-14-5-3-6-15(12-14)22-20(24)18-7-4-10-27-18/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1078727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).