2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid

C17H22N2O6S — CID 119213875

IUPAC2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O6S/c1-11-2-3-13(16(20)18-15(17(21)22)12-4-5-12)10-14(11)26(23,24)19-6-8-25-9-7-19/h2-3,10,12,15H,4-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyDURAOKYBOCOVOO-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.61
Rot. Bonds6

About 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid

2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid (PubChem CID 119213875) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
PubChem CID119213875
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O6S/c1-11-2-3-13(16(20)18-15(17(21)22)12-4-5-12)10-14(11)26(23,24)19-6-8-25-9-7-19/h2-3,10,12,15H,4-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyDURAOKYBOCOVOO-UHFFFAOYSA-N
XLogP0.61
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084
4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30399892
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 75857678
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid (CID 119213875) is 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid is Cc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The InChIKey is DURAOKYBOCOVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-11-2-3-13(16(20)18-15(17(21)22)12-4-5-12)10-14(11)26(23,24)19-6-8-25-9-7-19/h2-3,10,12,15H,4-9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid has a molecular weight of 382.44 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid is sourced from PubChem (CID 119213875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).