tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate

C12H18N2O3S — CID 2796306

IUPACtert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-7-6-13-10(15)9-5-4-8-18-9/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyONGJIKOHTMAPOQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.00
Rot. Bonds4

About tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate

tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate (PubChem CID 2796306) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate
PubChem CID2796306
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-7-6-13-10(15)9-5-4-8-18-9/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyONGJIKOHTMAPOQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
(1,4-Diazepan-1-yl)(thiophen-2-yl)methanone
CID 2795677
N-[(5-Acetyl-2-thienyl)methyl]acetamide
CID 7131592
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate (CID 2796306) is tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cccs1.
What is the InChIKey of tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate?
The InChIKey is ONGJIKOHTMAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-7-6-13-10(15)9-5-4-8-18-9/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate?
tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(thiophene-2-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 2796306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).