2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide

C22H29FN2O5S2 — CID 55638144

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
SMILESCCCOc1ccc(CNC(=O)C(CCSC)NS(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C22H29FN2O5S2/c1-4-12-30-19-10-9-16(14-20(19)29-2)15-24-22(26)18(11-13-31-3)25-32(27,28)21-8-6-5-7-17(21)23/h5-10,14,18,25H,4,11-13,15H2,1-3H3,(H,24,26)
InChIKeyCILFGJMWRUKCIO-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.34
Rot. Bonds13

About 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide (PubChem CID 55638144) has the molecular formula C22H29FN2O5S2 and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
PubChem CID55638144
Molecular FormulaC22H29FN2O5S2
Molecular Weight484.62 g/mol
Exact Mass484.15
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
SMILESCCCOc1ccc(CNC(=O)C(CCSC)NS(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C22H29FN2O5S2/c1-4-12-30-19-10-9-16(14-20(19)29-2)15-24-22(26)18(11-13-31-3)25-32(27,28)21-8-6-5-7-17(21)23/h5-10,14,18,25H,4,11-13,15H2,1-3H3,(H,24,26)
InChIKeyCILFGJMWRUKCIO-UHFFFAOYSA-N
XLogP3.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide 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

2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
CID 24598971
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 55340951
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
CID 55689276
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55859139
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 31552454
N-[2-(3-chlorophenoxy)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55724599
2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 55343823
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
2-[(2-fluorophenyl)sulfonylamino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylsulfanylbutanamide
CID 55977067
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66527973
N-[3-(2-fluoro-N-methylanilino)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55954994

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide (CID 55638144) is 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide is CCCOc1ccc(CNC(=O)C(CCSC)NS(=O)(=O)c2ccccc2F)cc1OC.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is CILFGJMWRUKCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O5S2/c1-4-12-30-19-10-9-16(14-20(19)29-2)15-24-22(26)18(11-13-31-3)25-32(27,28)21-8-6-5-7-17(21)23/h5-10,14,18,25H,4,11-13,15H2,1-3H3,(H,24,26).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 484.62 g/mol, XLogP of 3.34, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55638144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).