N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C19H14BrNO2S — CID 20877904

IUPACN-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrNO2S/c1-21(14-8-6-13(20)7-9-14)19(22)17-10-12-11-23-16-5-3-2-4-15(16)18(12)24-17/h2-10H,11H2,1H3
InChIKeyJHQRDQHZABELRZ-UHFFFAOYSA-N
MW400.30 g/mol
LogP5.35
Rot. Bonds2

About N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877904) has the molecular formula C19H14BrNO2S and a molecular weight of 400.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877904
Molecular FormulaC19H14BrNO2S
Molecular Weight400.30 g/mol
Exact Mass398.99
IUPAC NameN-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrNO2S/c1-21(14-8-6-13(20)7-9-14)19(22)17-10-12-11-23-16-5-3-2-4-15(16)18(12)24-17/h2-10H,11H2,1H3
InChIKeyJHQRDQHZABELRZ-UHFFFAOYSA-N
XLogP5.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.30
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877904) is N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is JHQRDQHZABELRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO2S/c1-21(14-8-6-13(20)7-9-14)19(22)17-10-12-11-23-16-5-3-2-4-15(16)18(12)24-17/h2-10H,11H2,1H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 400.30 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).