2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid

C17H22N2O5S — CID 119202227

IUPAC2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H22N2O5S/c1-10-3-8-14(25(23,24)18-12-4-5-12)9-15(10)16(20)19(13-6-7-13)11(2)17(21)22/h3,8-9,11-13,18H,4-7H2,1-2H3,(H,21,22)
InChIKeyMTRJMWQXHHBUJF-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.51
Rot. Bonds7

About 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid

2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid (PubChem CID 119202227) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
PubChem CID119202227
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H22N2O5S/c1-10-3-8-14(25(23,24)18-12-4-5-12)9-15(10)16(20)19(13-6-7-13)11(2)17(21)22/h3,8-9,11-13,18H,4-7H2,1-2H3,(H,21,22)
InChIKeyMTRJMWQXHHBUJF-UHFFFAOYSA-N
XLogP1.51
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
CID 119187975
1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539619
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552011
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679142
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18278443
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679220
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid (CID 119202227) is 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid?
The InChIKey is MTRJMWQXHHBUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-10-3-8-14(25(23,24)18-12-4-5-12)9-15(10)16(20)19(13-6-7-13)11(2)17(21)22/h3,8-9,11-13,18H,4-7H2,1-2H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid?
2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid has a molecular weight of 366.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid is sourced from PubChem (CID 119202227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).