2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide

C24H34FN3O6S — CID 57049916

IUPAC2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide
SMILESCOc1c(CCNC(=O)C(NS(=O)(=O)N(C)C)C(C)C)cccc1OCCOc1ccc(F)cc1
InChIInChI=1S/C24H34FN3O6S/c1-17(2)22(27-35(30,31)28(3)4)24(29)26-14-13-18-7-6-8-21(23(18)32-5)34-16-15-33-20-11-9-19(25)10-12-20/h6-12,17,22,27H,13-16H2,1-5H3,(H,26,29)
InChIKeyXCFHMXQDBJMMGT-UHFFFAOYSA-N
MW511.62 g/mol
LogP2.37
Rot. Bonds14

About 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide

2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide (PubChem CID 57049916) has the molecular formula C24H34FN3O6S and a molecular weight of 511.62 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide
PubChem CID57049916
Molecular FormulaC24H34FN3O6S
Molecular Weight511.62 g/mol
Exact Mass511.22
IUPAC Name2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide
SMILESCOc1c(CCNC(=O)C(NS(=O)(=O)N(C)C)C(C)C)cccc1OCCOc1ccc(F)cc1
InChIInChI=1S/C24H34FN3O6S/c1-17(2)22(27-35(30,31)28(3)4)24(29)26-14-13-18-7-6-8-21(23(18)32-5)34-16-15-33-20-11-9-19(25)10-12-20/h6-12,17,22,27H,13-16H2,1-5H3,(H,26,29)
InChIKeyXCFHMXQDBJMMGT-UHFFFAOYSA-N
XLogP2.37
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
CID 57281523
(2S)-N-[2-(3-fluorophenoxy)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 35093926
2-(4-fluorophenoxy)ethyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572927
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55940434
2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
CID 22682363
4-[[2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20989636
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-4,4,4-trifluorobut-2-enamide
CID 167855539

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide (CID 57049916) is 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide is COc1c(CCNC(=O)C(NS(=O)(=O)N(C)C)C(C)C)cccc1OCCOc1ccc(F)cc1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide?
The InChIKey is XCFHMXQDBJMMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O6S/c1-17(2)22(27-35(30,31)28(3)4)24(29)26-14-13-18-7-6-8-21(23(18)32-5)34-16-15-33-20-11-9-19(25)10-12-20/h6-12,17,22,27H,13-16H2,1-5H3,(H,26,29).
What are the key properties of 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide?
2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide has a molecular weight of 511.62 g/mol, XLogP of 2.37, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 57049916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).