N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C20H17ClN2O4S — CID 86958668

IUPACN-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCS(=O)Cc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-28(26)12-14-11-16(8-9-17(14)21)23-19(24)13-4-6-15(7-5-13)22-20(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJJOMAWPMTOAWRU-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.32
Rot. Bonds6

About N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86958668) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID86958668
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC NameN-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCS(=O)Cc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-28(26)12-14-11-16(8-9-17(14)21)23-19(24)13-4-6-15(7-5-13)22-20(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJJOMAWPMTOAWRU-UHFFFAOYSA-N
XLogP4.32
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-benzamido-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57248454
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9072392
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 86958668) is N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is CS(=O)Cc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1Cl.
What is the InChIKey of N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is JJOMAWPMTOAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-28(26)12-14-11-16(8-9-17(14)21)23-19(24)13-4-6-15(7-5-13)22-20(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 416.89 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86958668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).