4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C18H22N2O4S — CID 4794711

IUPAC4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)24-16-7-5-15(6-8-16)18(21)20-12-11-14-3-9-17(10-4-14)25(19,22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyDNQFPCGRKUBYRU-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.09
Rot. Bonds7

About 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 4794711) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID4794711
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)24-16-7-5-15(6-8-16)18(21)20-12-11-14-3-9-17(10-4-14)25(19,22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyDNQFPCGRKUBYRU-UHFFFAOYSA-N
XLogP2.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
4-(2-fluoroethoxy)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 75047493
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 4794711) is 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CC(C)Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is DNQFPCGRKUBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)24-16-7-5-15(6-8-16)18(21)20-12-11-14-3-9-17(10-4-14)25(19,22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 4794711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).