N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide

C22H22FN3O5S2 — CID 55504531

IUPACN-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H22FN3O5S2/c1-32-14-12-18(26-33(29,30)20-7-3-2-5-17(20)23)21(27)24-15-8-10-16(11-9-15)25-22(28)19-6-4-13-31-19/h2-11,13,18,26H,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyYSFQAAGIVJNOSK-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.71
Rot. Bonds10

About N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55504531) has the molecular formula C22H22FN3O5S2 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide
PubChem CID55504531
Molecular FormulaC22H22FN3O5S2
Molecular Weight491.57 g/mol
Exact Mass491.10
IUPAC NameN-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H22FN3O5S2/c1-32-14-12-18(26-33(29,30)20-7-3-2-5-17(20)23)21(27)24-15-8-10-16(11-9-15)25-22(28)19-6-4-13-31-19/h2-11,13,18,26H,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyYSFQAAGIVJNOSK-UHFFFAOYSA-N
XLogP3.71
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 24687371
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 26873336
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 55335123
N-[1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24597987
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2438761
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
CID 55689276
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 55340951
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 42906188
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55527382

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide (CID 55504531) is N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is YSFQAAGIVJNOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5S2/c1-32-14-12-18(26-33(29,30)20-7-3-2-5-17(20)23)21(27)24-15-8-10-16(11-9-15)25-22(28)19-6-4-13-31-19/h2-11,13,18,26H,12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.71, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55504531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).