5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide

C22H20N2O5S — CID 55488951

IUPAC5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C22H20N2O5S/c25-21(23-17-10-11-17)15-6-8-16(9-7-15)24-22(26)20-13-12-18(29-20)14-30(27,28)19-4-2-1-3-5-19/h1-9,12-13,17H,10-11,14H2,(H,23,25)(H,24,26)
InChIKeyJMNYSKMZDHHQQZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.40
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55488951) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55488951
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C22H20N2O5S/c25-21(23-17-10-11-17)15-6-8-16(9-7-15)24-22(26)20-13-12-18(29-20)14-30(27,28)19-4-2-1-3-5-19/h1-9,12-13,17H,10-11,14H2,(H,23,25)(H,24,26)
InChIKeyJMNYSKMZDHHQQZ-UHFFFAOYSA-N
XLogP3.40
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46584687
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
CID 55534850
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700999
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
4-benzamido-N-cyclopentylbenzamide
CID 1262350
4-benzyl-N-cyclopropylbenzamide
CID 45086871
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide (CID 55488951) is 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is JMNYSKMZDHHQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c25-21(23-17-10-11-17)15-6-8-16(9-7-15)24-22(26)20-13-12-18(29-20)14-30(27,28)19-4-2-1-3-5-19/h1-9,12-13,17H,10-11,14H2,(H,23,25)(H,24,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55488951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).