N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide

C22H22N2O5S — CID 46580364

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O5S/c1-15(17-7-6-8-19(13-17)24-16(2)25)23-22(26)21-18(11-12-29-21)14-30(27,28)20-9-4-3-5-10-20/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGOMJHVICYHSCRJ-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.70
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide (PubChem CID 46580364) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide
PubChem CID46580364
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O5S/c1-15(17-7-6-8-19(13-17)24-16(2)25)23-22(26)21-18(11-12-29-21)14-30(27,28)20-9-4-3-5-10-20/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGOMJHVICYHSCRJ-UHFFFAOYSA-N
XLogP3.70
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
CID 43054440
3-(benzenesulfonylmethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55611522
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46689440
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide (CID 46580364) is N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide?
The InChIKey is GOMJHVICYHSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15(17-7-6-8-19(13-17)24-16(2)25)23-22(26)21-18(11-12-29-21)14-30(27,28)20-9-4-3-5-10-20/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide is sourced from PubChem (CID 46580364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).