N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C18H21N3O5S — CID 46461599

IUPACN-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1C
InChIInChI=1S/C18H21N3O5S/c1-12-13(17(22)19-2)6-5-7-14(12)20-18(23)15-8-9-16(26-15)27(24,25)21-10-3-4-11-21/h5-9H,3-4,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySXXMFDUQTLIIAA-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.98
Rot. Bonds5

About N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 46461599) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID46461599
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1C
InChIInChI=1S/C18H21N3O5S/c1-12-13(17(22)19-2)6-5-7-14(12)20-18(23)15-8-9-16(26-15)27(24,25)21-10-3-4-11-21/h5-9H,3-4,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySXXMFDUQTLIIAA-UHFFFAOYSA-N
XLogP1.98
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55660521
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
5-piperidin-1-ylsulfonyl-N-(2-propoxyphenyl)furan-2-carboxamide
CID 46411239
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide
CID 55660502

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 46461599) is N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1C.
What is the InChIKey of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is SXXMFDUQTLIIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-12-13(17(22)19-2)6-5-7-14(12)20-18(23)15-8-9-16(26-15)27(24,25)21-10-3-4-11-21/h5-9H,3-4,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 46461599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).