N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C18H23N3O3S — CID 124760277

IUPACN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)cn1C
InChIInChI=1S/C18H23N3O3S/c1-12(2)18-19-17(11-21(18)4)25(22,23)20-13(3)9-15-10-14-7-5-6-8-16(14)24-15/h5-8,10-13,20H,9H2,1-4H3/t13-/m0/s1
InChIKeyKQXWLVSHYOSWPX-ZDUSSCGKSA-N
MW361.47 g/mol
LogP3.20
Rot. Bonds6

About N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 124760277) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID124760277
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)cn1C
InChIInChI=1S/C18H23N3O3S/c1-12(2)18-19-17(11-21(18)4)25(22,23)20-13(3)9-15-10-14-7-5-6-8-16(14)24-15/h5-8,10-13,20H,9H2,1-4H3/t13-/m0/s1
InChIKeyKQXWLVSHYOSWPX-ZDUSSCGKSA-N
XLogP3.20
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide 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-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 124759808
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 119104181
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 124760523
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 119104175

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 124760277) is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)cn1C.
What is the InChIKey of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is KQXWLVSHYOSWPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12(2)18-19-17(11-21(18)4)25(22,23)20-13(3)9-15-10-14-7-5-6-8-16(14)24-15/h5-8,10-13,20H,9H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 124760277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).