(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide

C17H24N4O3S — CID 41015258

IUPAC(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide
SMILESCCC[C@@H](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1ccnc1
InChIInChI=1S/C17H24N4O3S/c1-4-6-15(21-10-9-18-13-21)12-17(22)19-14-7-5-8-16(11-14)25(23,24)20(2)3/h5,7-11,13,15H,4,6,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyMACALIRELYQPLF-HNNXBMFYSA-N
MW364.47 g/mol
LogP2.50
Rot. Bonds8

About (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide

(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide (PubChem CID 41015258) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound Name(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide
PubChem CID41015258
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide
SMILESCCC[C@@H](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1ccnc1
InChIInChI=1S/C17H24N4O3S/c1-4-6-15(21-10-9-18-13-21)12-17(22)19-14-7-5-8-16(11-14)25(23,24)20(2)3/h5,7-11,13,15H,4,6,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyMACALIRELYQPLF-HNNXBMFYSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393971
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
CID 43357509
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide?
The IUPAC name of (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide (CID 41015258) is (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide.
What is the SMILES notation for (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide?
The canonical SMILES for (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide is CCC[C@@H](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1ccnc1.
What is the InChIKey of (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide?
The InChIKey is MACALIRELYQPLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-6-15(21-10-9-18-13-21)12-17(22)19-14-7-5-8-16(11-14)25(23,24)20(2)3/h5,7-11,13,15H,4,6,12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide?
(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide has a molecular weight of 364.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 41015258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).