2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid

C15H20N2O5S — CID 119123974

IUPAC2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H20N2O5S/c1-10(2)17(9-14(18)19)15(20)11-3-7-13(8-4-11)23(21,22)16-12-5-6-12/h3-4,7-8,10,12,16H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyLGPNBXTYZNDGRD-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.06
Rot. Bonds7

About 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid

2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid (PubChem CID 119123974) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
PubChem CID119123974
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H20N2O5S/c1-10(2)17(9-14(18)19)15(20)11-3-7-13(8-4-11)23(21,22)16-12-5-6-12/h3-4,7-8,10,12,16H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyLGPNBXTYZNDGRD-UHFFFAOYSA-N
XLogP1.06
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 51126304
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
4-(cyclopropylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 18195060
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
CID 119199013
2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid
CID 79264080
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192622

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid (CID 119123974) is 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
The InChIKey is LGPNBXTYZNDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10(2)17(9-14(18)19)15(20)11-3-7-13(8-4-11)23(21,22)16-12-5-6-12/h3-4,7-8,10,12,16H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid?
2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119123974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).