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

C21H18N2O3S — CID 134019153

IUPACN-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1C
InChIInChI=1S/C21H18N2O3S/c1-12-16(22-13(2)24)7-5-8-17(12)23-21(25)19-10-14-11-26-18-9-4-3-6-15(18)20(14)27-19/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWKBFTCAOUXNMAP-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.83
Rot. Bonds3

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

N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 134019153) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID134019153
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1C
InChIInChI=1S/C21H18N2O3S/c1-12-16(22-13(2)24)7-5-8-17(12)23-21(25)19-10-14-11-26-18-9-4-3-6-15(18)20(14)27-19/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWKBFTCAOUXNMAP-UHFFFAOYSA-N
XLogP4.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55964946
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 26120032
N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 34400383
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55332902
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 134019153) is N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is WKBFTCAOUXNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-12-16(22-13(2)24)7-5-8-17(12)23-21(25)19-10-14-11-26-18-9-4-3-6-15(18)20(14)27-19/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 134019153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).