tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate

C16H20N2O2S — CID 66619507

IUPACtert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
SMILESCc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(N)c2)s1
InChIInChI=1S/C16H20N2O2S/c1-10-5-8-14(21-10)11-6-7-13(12(17)9-11)18-15(19)20-16(2,3)4/h5-9H,17H2,1-4H3,(H,18,19)
InChIKeyZOFLPBAAHYMLDZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.65
Rot. Bonds2

About tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate

tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate (PubChem CID 66619507) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
PubChem CID66619507
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nametert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
SMILESCc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(N)c2)s1
InChIInChI=1S/C16H20N2O2S/c1-10-5-8-14(21-10)11-6-7-13(12(17)9-11)18-15(19)20-16(2,3)4/h5-9H,17H2,1-4H3,(H,18,19)
InChIKeyZOFLPBAAHYMLDZ-UHFFFAOYSA-N
XLogP4.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
CID 67289423
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-(ethoxycarbonylamino)-4-thiophen-2-ylphenyl]carbamate;ethyl carbonochloridate
CID 157328097
tert-butyl N-[2-amino-4-(3-methyl-2,3-dihydrothiophen-2-yl)phenyl]carbamate
CID 163870826
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-[3-(2-amino-4-methylanilino)phenyl]carbamate
CID 118119863
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[5-(3-amino-1H-pyrazol-5-yl)-2-fluorophenyl]carbamate
CID 117471970
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate (CID 66619507) is tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate is Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(N)c2)s1.
What is the InChIKey of tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate?
The InChIKey is ZOFLPBAAHYMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-5-8-14(21-10)11-6-7-13(12(17)9-11)18-15(19)20-16(2,3)4/h5-9H,17H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate?
tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate has a molecular weight of 304.42 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate is sourced from PubChem (CID 66619507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).