N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide

C16H22N4O4S — CID 70741869

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
SMILESCCn1ccnc1CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1
InChIInChI=1S/C16H22N4O4S/c1-3-20-9-8-17-15(20)11-18-16(22)13-4-6-14(7-5-13)25(23,24)19-10-12(2)21/h4-9,12,19,21H,3,10-11H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyRZJWTXFPHIGUIH-GFCCVEGCSA-N
MW366.44 g/mol
LogP0.49
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide

N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide (PubChem CID 70741869) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
PubChem CID70741869
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
SMILESCCn1ccnc1CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1
InChIInChI=1S/C16H22N4O4S/c1-3-20-9-8-17-15(20)11-18-16(22)13-4-6-14(7-5-13)25(23,24)19-10-12(2)21/h4-9,12,19,21H,3,10-11H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyRZJWTXFPHIGUIH-GFCCVEGCSA-N
XLogP0.49
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-Imidazol-1-yl-propylsulfamoyl)-N-isopropyl-2-methyl-benzamide
CID 6457658
3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 2999228
4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-[3-(1-imidazolyl)propyl]benzamide
CID 3959870
3-(benzylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4879342
3-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 9551924
N-(3-Imidazol-1-yl-propyl)-4-methylsulfanyl-benzamide
CID 13588925
N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 118712544
N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide
CID 4086896
4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4226557
4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 4782656

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide (CID 70741869) is N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide is CCn1ccnc1CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
The InChIKey is RZJWTXFPHIGUIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-3-20-9-8-17-15(20)11-18-16(22)13-4-6-14(7-5-13)25(23,24)19-10-12(2)21/h4-9,12,19,21H,3,10-11H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide is sourced from PubChem (CID 70741869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).