N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide

C21H14ClNO3S — CID 17013155

IUPACN-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClNO3S/c22-15-6-3-7-16(12-15)23(13-17-8-4-10-27-17)20(24)18-11-14-5-1-2-9-19(14)26-21(18)25/h1-12H,13H2
InChIKeyDRVGTGXHNCCCHO-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.35
Rot. Bonds4

About N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide

N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide (PubChem CID 17013155) has the molecular formula C21H14ClNO3S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
PubChem CID17013155
Molecular FormulaC21H14ClNO3S
Molecular Weight395.87 g/mol
Exact Mass395.04
IUPAC NameN-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClNO3S/c22-15-6-3-7-16(12-15)23(13-17-8-4-10-27-17)20(24)18-11-14-5-1-2-9-19(14)26-21(18)25/h1-12H,13H2
InChIKeyDRVGTGXHNCCCHO-UHFFFAOYSA-N
XLogP5.35
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
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CID 175469924
N-(1-hydroxybutan-2-yl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 46994886
N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-2-oxochromene-3-carboxamide
CID 169091744
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N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344621
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CID 17014005
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
CID 60825769
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
(4-chlorophenyl)methyl 2-oxochromene-3-carboxylate
CID 962039

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide (CID 17013155) is N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is DRVGTGXHNCCCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3S/c22-15-6-3-7-16(12-15)23(13-17-8-4-10-27-17)20(24)18-11-14-5-1-2-9-19(14)26-21(18)25/h1-12H,13H2.
What are the key properties of N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 17013155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).