N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide

C20H11Cl2NO3S — CID 4975081

IUPACN-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C20H11Cl2NO3S/c21-13-8-7-11(10-14(13)22)17-18(24)12-4-1-2-5-15(12)26-20(17)23-19(25)16-6-3-9-27-16/h1-10H,(H,23,25)
InChIKeyKYHSKQFPDXDUTB-UHFFFAOYSA-N
MW416.29 g/mol
LogP6.08
Rot. Bonds3

About N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide

N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide (PubChem CID 4975081) has the molecular formula C20H11Cl2NO3S and a molecular weight of 416.29 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
PubChem CID4975081
Molecular FormulaC20H11Cl2NO3S
Molecular Weight416.29 g/mol
Exact Mass414.98
IUPAC NameN-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C20H11Cl2NO3S/c21-13-8-7-11(10-14(13)22)17-18(24)12-4-1-2-5-15(12)26-20(17)23-19(25)16-6-3-9-27-16/h1-10H,(H,23,25)
InChIKeyKYHSKQFPDXDUTB-UHFFFAOYSA-N
XLogP6.08
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
CID 4905865
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 2279249
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984
2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
CID 7463394
N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide
CID 7693008
N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
CID 11989434
2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4911005
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide (CID 4975081) is N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide is O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide?
The InChIKey is KYHSKQFPDXDUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2NO3S/c21-13-8-7-11(10-14(13)22)17-18(24)12-4-1-2-5-15(12)26-20(17)23-19(25)16-6-3-9-27-16/h1-10H,(H,23,25).
What are the key properties of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide?
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide has a molecular weight of 416.29 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4975081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).