2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide

C23H25FN2O4S2 — CID 24598971

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
SMILESCOc1ccc2cc(CNC(=O)C(CCSC)NS(=O)(=O)c3ccccc3F)ccc2c1
InChIInChI=1S/C23H25FN2O4S2/c1-30-19-10-9-17-13-16(7-8-18(17)14-19)15-25-23(27)21(11-12-31-2)26-32(28,29)22-6-4-3-5-20(22)24/h3-10,13-14,21,26H,11-12,15H2,1-2H3,(H,25,27)
InChIKeyAJMXTRUJHWDTOF-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.70
Rot. Bonds10

About 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 24598971) has the molecular formula C23H25FN2O4S2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID24598971
Molecular FormulaC23H25FN2O4S2
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
SMILESCOc1ccc2cc(CNC(=O)C(CCSC)NS(=O)(=O)c3ccccc3F)ccc2c1
InChIInChI=1S/C23H25FN2O4S2/c1-30-19-10-9-17-13-16(7-8-18(17)14-19)15-25-23(27)21(11-12-31-2)26-32(28,29)22-6-4-3-5-20(22)24/h3-10,13-14,21,26H,11-12,15H2,1-2H3,(H,25,27)
InChIKeyAJMXTRUJHWDTOF-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 55638144
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
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
N-[2-(3-chlorophenoxy)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55724599
N-[2-[[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]ethyl]-4-methoxybenzamide
CID 55960223
2-[(2-fluorophenyl)sulfonylamino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylsulfanylbutanamide
CID 55977067
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfanylbutanamide
CID 41136094
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 24687371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide (CID 24598971) is 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide is COc1ccc2cc(CNC(=O)C(CCSC)NS(=O)(=O)c3ccccc3F)ccc2c1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is AJMXTRUJHWDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S2/c1-30-19-10-9-17-13-16(7-8-18(17)14-19)15-25-23(27)21(11-12-31-2)26-32(28,29)22-6-4-3-5-20(22)24/h3-10,13-14,21,26H,11-12,15H2,1-2H3,(H,25,27).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 476.60 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 24598971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).