[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C17H24N2O5S — CID 46679679

IUPAC[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCCC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C17H24N2O5S/c1-4-12(3)18-16(20)10-24-17(21)15-9-14(8-5-11(15)2)25(22,23)19-13-6-7-13/h5,8-9,12-13,19H,4,6-7,10H2,1-3H3,(H,18,20)
InChIKeyAWDOOQVRWBLCEN-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.51
Rot. Bonds8

About [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 46679679) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID46679679
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCCC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C17H24N2O5S/c1-4-12(3)18-16(20)10-24-17(21)15-9-14(8-5-11(15)2)25(22,23)19-13-6-7-13/h5,8-9,12-13,19H,4,6-7,10H2,1-3H3,(H,18,20)
InChIKeyAWDOOQVRWBLCEN-UHFFFAOYSA-N
XLogP1.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679220
[2-(butan-2-ylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 42968167
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519664
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348
benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679142
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679136
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033083
(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490032

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 46679679) is [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is CCC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C.
What is the InChIKey of [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is AWDOOQVRWBLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-4-12(3)18-16(20)10-24-17(21)15-9-14(8-5-11(15)2)25(22,23)19-13-6-7-13/h5,8-9,12-13,19H,4,6-7,10H2,1-3H3,(H,18,20).
What are the key properties of [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate has a molecular weight of 368.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 46679679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).