tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate

C18H26N2O5S — CID 51933378

IUPACtert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate
SMILESCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S/c1-18(2,3)25-17(22)19-14-7-5-13(6-8-14)11-16(21)20(4)15-9-10-26(23,24)12-15/h5-8,15H,9-12H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyUTYHQPXAEKAUIE-OAHLLOKOSA-N
MW382.48 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate (PubChem CID 51933378) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate
PubChem CID51933378
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nametert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate
SMILESCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S/c1-18(2,3)25-17(22)19-14-7-5-13(6-8-14)11-16(21)20(4)15-9-10-26(23,24)12-15/h5-8,15H,9-12H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyUTYHQPXAEKAUIE-OAHLLOKOSA-N
XLogP2.22
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate with MolForge

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Related Compounds

2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
tert-butyl N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]carbamate
CID 112984308
2-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238248
tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
2-[4-(dimethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001942
N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide
CID 108989427
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
tert-butyl N-[(2S)-1-[(1,1-dioxothiolan-3-yl)-methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110677909
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-propan-2-yloxyanilino)acetamide
CID 109001931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate (CID 51933378) is tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate is CN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is UTYHQPXAEKAUIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-18(2,3)25-17(22)19-14-7-5-13(6-8-14)11-16(21)20(4)15-9-10-26(23,24)12-15/h5-8,15H,9-12H2,1-4H3,(H,19,22)/t15-/m1/s1.
What are the key properties of tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 382.48 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 51933378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).