[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate

C18H28N2O5S — CID 18202474

IUPAC[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
SMILESCC(C)CCCC(C)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H28N2O5S/c1-13(2)8-7-9-14(3)19-17(21)12-25-18(22)15-10-5-6-11-16(15)20-26(4,23)24/h5-6,10-11,13-14,20H,7-9,12H2,1-4H3,(H,19,21)
InChIKeyRHDUFULMGMULAZ-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.55
Rot. Bonds10

About [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate (PubChem CID 18202474) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
PubChem CID18202474
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
SMILESCC(C)CCCC(C)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H28N2O5S/c1-13(2)8-7-9-14(3)19-17(21)12-25-18(22)15-10-5-6-11-16(15)20-26(4,23)24/h5-6,10-11,13-14,20H,7-9,12H2,1-4H3,(H,19,21)
InChIKeyRHDUFULMGMULAZ-UHFFFAOYSA-N
XLogP2.55
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 9019974
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate
CID 7247664
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 18201311
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 55523607
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 41153767
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740541
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 46608312
[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 2H-benzotriazole-4-carboxylate
CID 99794821
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate
CID 46828623
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate (CID 18202474) is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate is CC(C)CCCC(C)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The InChIKey is RHDUFULMGMULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(2)8-7-9-14(3)19-17(21)12-25-18(22)15-10-5-6-11-16(15)20-26(4,23)24/h5-6,10-11,13-14,20H,7-9,12H2,1-4H3,(H,19,21).
What are the key properties of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate has a molecular weight of 384.50 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 18202474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).