2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride

C22H25ClFN3O5S — CID 86643401

IUPAC2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)(C)N)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1.Cl
InChIInChI=1S/C22H24FN3O5S.ClH/c1-13-5-9-19(31-13)16-8-7-15(12-17(16)23)32(28,29)26-18-11-14(6-10-20(18)30-4)25-21(27)22(2,3)24;/h5-12,26H,24H2,1-4H3,(H,25,27);1H
InChIKeyIUQCUPHOAFAOOU-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.30
Rot. Bonds7

About 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride (PubChem CID 86643401) has the molecular formula C22H25ClFN3O5S and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
PubChem CID86643401
Molecular FormulaC22H25ClFN3O5S
Molecular Weight497.98 g/mol
Exact Mass497.12
IUPAC Name2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)(C)N)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1.Cl
InChIInChI=1S/C22H24FN3O5S.ClH/c1-13-5-9-19(31-13)16-8-7-15(12-17(16)23)32(28,29)26-18-11-14(6-10-20(18)30-4)25-21(27)22(2,3)24;/h5-12,26H,24H2,1-4H3,(H,25,27);1H
InChIKeyIUQCUPHOAFAOOU-UHFFFAOYSA-N
XLogP4.30
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide
CID 69193209
N-[5-[butanoyl-(iodoamino)amino]-2-methoxyphenyl]-3-fluoro-4-(5-methylfuran-2-yl)benzenesulfonamide;hydrochloride
CID 87710268
tert-butyl N-[(2R)-1-[4-methoxy-3-[[4-(5-methylfuran-2-yl)phenyl]sulfonylamino]anilino]-1-oxopropan-2-yl]carbamate
CID 86643411
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
CID 119321312

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride (CID 86643401) is 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride is COc1ccc(NC(=O)C(C)(C)N)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is IUQCUPHOAFAOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S.ClH/c1-13-5-9-19(31-13)16-8-7-15(12-17(16)23)32(28,29)26-18-11-14(6-10-20(18)30-4)25-21(27)22(2,3)24;/h5-12,26H,24H2,1-4H3,(H,25,27);1H.
What are the key properties of 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 497.98 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 86643401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).