N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide

C20H12Cl2N2O3S — CID 1132512

IUPACN-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl)c1ccco1
InChIInChI=1S/C20H12Cl2N2O3S/c21-13-10-11(7-8-14(13)24-19(25)15-5-3-9-27-15)23-20(26)18-17(22)12-4-1-2-6-16(12)28-18/h1-10H,(H,23,26)(H,24,25)
InChIKeyLNWNCPRCYKMWSG-UHFFFAOYSA-N
MW431.30 g/mol
LogP6.31
Rot. Bonds4

About N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide

N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1132512) has the molecular formula C20H12Cl2N2O3S and a molecular weight of 431.30 g/mol. Its IUPAC name is N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
PubChem CID1132512
Molecular FormulaC20H12Cl2N2O3S
Molecular Weight431.30 g/mol
Exact Mass429.99
IUPAC NameN-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl)c1ccco1
InChIInChI=1S/C20H12Cl2N2O3S/c21-13-10-11(7-8-14(13)24-19(25)15-5-3-9-27-15)23-20(26)18-17(22)12-4-1-2-6-16(12)28-18/h1-10H,(H,23,26)(H,24,25)
InChIKeyLNWNCPRCYKMWSG-UHFFFAOYSA-N
XLogP6.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.30
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide (CID 1132512) is N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is LNWNCPRCYKMWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O3S/c21-13-10-11(7-8-14(13)24-19(25)15-5-3-9-27-15)23-20(26)18-17(22)12-4-1-2-6-16(12)28-18/h1-10H,(H,23,26)(H,24,25).
What are the key properties of N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 431.30 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1132512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).