N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide

C21H16N2O3S — CID 31516670

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H16N2O3S/c24-20(15-11-14-5-1-2-8-18(14)26-13-15)22-16-6-3-7-17(12-16)23-21(25)19-9-4-10-27-19/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyWNBDIRZZJVTUQT-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.41
Rot. Bonds4

About N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide

N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide (PubChem CID 31516670) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide
PubChem CID31516670
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H16N2O3S/c24-20(15-11-14-5-1-2-8-18(14)26-13-15)22-16-6-3-7-17(12-16)23-21(25)19-9-4-10-27-19/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyWNBDIRZZJVTUQT-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide (CID 31516670) is N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide?
The InChIKey is WNBDIRZZJVTUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-20(15-11-14-5-1-2-8-18(14)26-13-15)22-16-6-3-7-17(12-16)23-21(25)19-9-4-10-27-19/h1-12H,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 31516670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).