N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide

C17H24N4O3S — CID 166288272

IUPACN-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)[nH]1
InChIInChI=1S/C17H24N4O3S/c1-4-16-18-10-14(21-16)11-19-17(22)13-5-7-15(8-6-13)25(23,24)20-9-12(2)3/h5-8,10,12,20H,4,9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyTYXDBJNFZFNNIT-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.84
Rot. Bonds8

About N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide

N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 166288272) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID166288272
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)[nH]1
InChIInChI=1S/C17H24N4O3S/c1-4-16-18-10-14(21-16)11-19-17(22)13-5-7-15(8-6-13)25(23,24)20-9-12(2)3/h5-8,10,12,20H,4,9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyTYXDBJNFZFNNIT-UHFFFAOYSA-N
XLogP1.84
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
2-[2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241930
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119439947
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide (CID 166288272) is N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide is CCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)[nH]1.
What is the InChIKey of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is TYXDBJNFZFNNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-16-18-10-14(21-16)11-19-17(22)13-5-7-15(8-6-13)25(23,24)20-9-12(2)3/h5-8,10,12,20H,4,9,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide?
N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 166288272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).