3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid

C18H26N2O5S — CID 146129064

IUPAC3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC1(N2CCOCC2)CC1
InChIInChI=1S/C18H26N2O5S/c1-13(2)15-4-3-14(17(21)22)11-16(15)26(23,24)19-12-18(5-6-18)20-7-9-25-10-8-20/h3-4,11,13,19H,5-10,12H2,1-2H3,(H,21,22)
InChIKeyXTLKVAIQYXJQFS-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.65
Rot. Bonds7

About 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid

3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid (PubChem CID 146129064) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid
PubChem CID146129064
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC1(N2CCOCC2)CC1
InChIInChI=1S/C18H26N2O5S/c1-13(2)15-4-3-14(17(21)22)11-16(15)26(23,24)19-12-18(5-6-18)20-7-9-25-10-8-20/h3-4,11,13,19H,5-10,12H2,1-2H3,(H,21,22)
InChIKeyXTLKVAIQYXJQFS-UHFFFAOYSA-N
XLogP1.65
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyltriazol-4-yl)methylsulfamoyl]-4-propan-2-ylbenzoic acid
CID 154757722
3-[(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)sulfonyl]-4-propan-2-ylbenzoic acid
CID 146130175
3-(phenylsulfamoyl)-4-propan-2-ylbenzoic acid
CID 56797596
4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 112505089
3-[(1-acetylpiperidin-3-yl)methylsulfamoyl]-4-propan-2-ylbenzoic acid
CID 136539192
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
CID 45412722
1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 139028911
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide
CID 86984290
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
3-[(1-methyltriazol-4-yl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 166214922

Frequently Asked Questions

What is the IUPAC name of 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid?
The IUPAC name of 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid (CID 146129064) is 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid.
What is the SMILES notation for 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid?
The canonical SMILES for 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid is CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC1(N2CCOCC2)CC1.
What is the InChIKey of 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid?
The InChIKey is XTLKVAIQYXJQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(2)15-4-3-14(17(21)22)11-16(15)26(23,24)19-12-18(5-6-18)20-7-9-25-10-8-20/h3-4,11,13,19H,5-10,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid?
3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid has a molecular weight of 382.48 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid is sourced from PubChem (CID 146129064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).