N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

C19H15BrN2O3S — CID 1322354

IUPACN-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H15BrN2O3S/c20-13-6-8-16(9-7-13)25-12-18(23)21-14-3-1-4-15(11-14)22-19(24)17-5-2-10-26-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyXPWAIGYLALNZTO-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.78
Rot. Bonds6

About N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 1322354) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID1322354
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC NameN-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H15BrN2O3S/c20-13-6-8-16(9-7-13)25-12-18(23)21-14-3-1-4-15(11-14)22-19(24)17-5-2-10-26-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyXPWAIGYLALNZTO-UHFFFAOYSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 1322354) is N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(COc1ccc(Br)cc1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is XPWAIGYLALNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c20-13-6-8-16(9-7-13)25-12-18(23)21-14-3-1-4-15(11-14)22-19(24)17-5-2-10-26-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 431.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1322354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).