tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate

C17H21NO2S — CID 114749441

IUPACtert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate
SMILESCCc1c(NC(=O)OC(C)(C)C)csc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-5-13-14(18-16(19)20-17(2,3)4)11-21-15(13)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyQLJZTMJTSOVZPZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP5.32
Rot. Bonds3

About tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate

tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate (PubChem CID 114749441) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate
PubChem CID114749441
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Nametert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate
SMILESCCc1c(NC(=O)OC(C)(C)C)csc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-5-13-14(18-16(19)20-17(2,3)4)11-21-15(13)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyQLJZTMJTSOVZPZ-UHFFFAOYSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylthiophene-3-carboxylic acid
CID 59373270
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
CID 12668805
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate
CID 91489697
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
CID 16655147
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate (CID 114749441) is tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate is CCc1c(NC(=O)OC(C)(C)C)csc1-c1ccccc1.
What is the InChIKey of tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate?
The InChIKey is QLJZTMJTSOVZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-5-13-14(18-16(19)20-17(2,3)4)11-21-15(13)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate?
tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate has a molecular weight of 303.43 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate is sourced from PubChem (CID 114749441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).