tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate

C15H17NO3S — CID 21064726

IUPACtert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H17NO3S/c1-15(2,3)19-14(18)16-9-11(17)13-8-10-6-4-5-7-12(10)20-13/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyBETPBICHCOHBAN-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate (PubChem CID 21064726) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
PubChem CID21064726
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nametert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H17NO3S/c1-15(2,3)19-14(18)16-9-11(17)13-8-10-6-4-5-7-12(10)20-13/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyBETPBICHCOHBAN-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-benzothiophen-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170832259
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]thiophene-2-carboxylate
CID 158312026
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
1-(1-benzothiophen-2-yl)-3-(4-tert-butylphenyl)propane-1,3-dione
CID 89492280
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
CID 102589864
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-(1-benzothiophen-2-yl)-4,4-dimethoxybutane-1,3-dione
CID 114910183
tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate
CID 165464788
tert-butyl N-[(E)-1-benzothiophen-2-ylmethylideneamino]carbamate
CID 16731403

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate (CID 21064726) is tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1cc2ccccc2s1.
What is the InChIKey of tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate?
The InChIKey is BETPBICHCOHBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-15(2,3)19-14(18)16-9-11(17)13-8-10-6-4-5-7-12(10)20-13/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate has a molecular weight of 291.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 21064726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).