N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C23H22N2O3S — CID 34400383

IUPACN-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1
InChIInChI=1S/C23H22N2O3S/c1-3-25(4-2)23(27)15-8-7-9-17(12-15)24-22(26)20-13-16-14-28-19-11-6-5-10-18(19)21(16)29-20/h5-13H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyJTJVKSLTMTUVGI-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.04
Rot. Bonds5

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

N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 34400383) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID34400383
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1
InChIInChI=1S/C23H22N2O3S/c1-3-25(4-2)23(27)15-8-7-9-17(12-15)24-22(26)20-13-16-14-28-19-11-6-5-10-18(19)21(16)29-20/h5-13H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyJTJVKSLTMTUVGI-UHFFFAOYSA-N
XLogP5.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
4-[(4H-thieno[3,2-c]chromene-2-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541595
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 35875668
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55964946
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 34400383) is N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is JTJVKSLTMTUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-25(4-2)23(27)15-8-7-9-17(12-15)24-22(26)20-13-16-14-28-19-11-6-5-10-18(19)21(16)29-20/h5-13H,3-4,14H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 34400383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).