[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

C19H27N3O6S — CID 7806947

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H27N3O6S/c1-3-14(2)20-19(25)21-17(23)13-28-18(24)15-9-5-6-10-16(15)29(26,27)22-11-7-4-8-12-22/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H2,20,21,23,25)/t14-/m1/s1
InChIKeyLJFHFCCRRLGCHG-CQSZACIVSA-N
MW425.51 g/mol
LogP1.64
Rot. Bonds7

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 7806947) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
PubChem CID7806947
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H27N3O6S/c1-3-14(2)20-19(25)21-17(23)13-28-18(24)15-9-5-6-10-16(15)29(26,27)22-11-7-4-8-12-22/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H2,20,21,23,25)/t14-/m1/s1
InChIKeyLJFHFCCRRLGCHG-CQSZACIVSA-N
XLogP1.64
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate 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-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
CID 7775896
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 42470089
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-bromobenzoate
CID 7775435
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599121
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 7784775
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599155
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927308
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927306

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (CID 7806947) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is LJFHFCCRRLGCHG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O6S/c1-3-14(2)20-19(25)21-17(23)13-28-18(24)15-9-5-6-10-16(15)29(26,27)22-11-7-4-8-12-22/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H2,20,21,23,25)/t14-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 425.51 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 7806947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).