N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C21H20N2O5S — CID 55613641

IUPACN-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H20N2O5S/c1-3-29(26,27)19-9-5-4-7-16(19)22-20(24)15-11-10-14(2)17(13-15)23-21(25)18-8-6-12-28-18/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXRIQZHFCNRGWSM-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.89
Rot. Bonds6

About N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 55613641) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID55613641
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H20N2O5S/c1-3-29(26,27)19-9-5-4-7-16(19)22-20(24)15-11-10-14(2)17(13-15)23-21(25)18-8-6-12-28-18/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXRIQZHFCNRGWSM-UHFFFAOYSA-N
XLogP3.89
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
CID 55782447
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 55613641) is N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is XRIQZHFCNRGWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-3-29(26,27)19-9-5-4-7-16(19)22-20(24)15-11-10-14(2)17(13-15)23-21(25)18-8-6-12-28-18/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 55613641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).