N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C20H16BrNO2S — CID 20877708

IUPACN-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2c(s1)-c1c(C)cccc1OC2
InChIInChI=1S/C20H16BrNO2S/c1-11-4-3-5-16-18(11)19-13(10-24-16)9-17(25-19)20(23)22-15-7-6-14(21)8-12(15)2/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyRAJGDJUYDKXDLY-UHFFFAOYSA-N
MW414.32 g/mol
LogP5.94
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877708) has the molecular formula C20H16BrNO2S and a molecular weight of 414.32 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877708
Molecular FormulaC20H16BrNO2S
Molecular Weight414.32 g/mol
Exact Mass413.01
IUPAC NameN-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2c(s1)-c1c(C)cccc1OC2
InChIInChI=1S/C20H16BrNO2S/c1-11-4-3-5-16-18(11)19-13(10-24-16)9-17(25-19)20(23)22-15-7-6-14(21)8-12(15)2/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyRAJGDJUYDKXDLY-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)amino]-1,3-benzodioxole-5-carboxylate
CID 20877822
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877747
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877800
9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877782
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55964946
[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877739
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877708) is N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc2c(s1)-c1c(C)cccc1OC2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is RAJGDJUYDKXDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2S/c1-11-4-3-5-16-18(11)19-13(10-24-16)9-17(25-19)20(23)22-15-7-6-14(21)8-12(15)2/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 414.32 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).