N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C24H27N3O5S — CID 17482091

IUPACN-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H27N3O5S/c1-16(2)27-33(30,31)15-20-8-5-4-7-19(20)14-25-23(28)18-11-10-17(3)21(13-18)26-24(29)22-9-6-12-32-22/h4-13,16,27H,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMTOXYANYFVOBEO-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.60
Rot. Bonds9

About N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17482091) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID17482091
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H27N3O5S/c1-16(2)27-33(30,31)15-20-8-5-4-7-19(20)14-25-23(28)18-11-10-17(3)21(13-18)26-24(29)22-9-6-12-32-22/h4-13,16,27H,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMTOXYANYFVOBEO-UHFFFAOYSA-N
XLogP3.60
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17461631
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 17482091) is N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is MTOXYANYFVOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16(2)27-33(30,31)15-20-8-5-4-7-19(20)14-25-23(28)18-11-10-17(3)21(13-18)26-24(29)22-9-6-12-32-22/h4-13,16,27H,14-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).