tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate

C14H22N2O3S — CID 58458787

IUPACtert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate
SMILESCc1cc(C)c(C(=O)NCCNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H22N2O3S/c1-9-8-10(2)20-11(9)12(17)15-6-7-16-13(18)19-14(3,4)5/h8H,6-7H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyYIHITJZNJLRAQE-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate (PubChem CID 58458787) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate
PubChem CID58458787
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate
SMILESCc1cc(C)c(C(=O)NCCNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H22N2O3S/c1-9-8-10(2)20-11(9)12(17)15-6-7-16-13(18)19-14(3,4)5/h8H,6-7H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyYIHITJZNJLRAQE-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
tert-butyl N-[2-[(6-chloropyrimidine-4-carbonyl)amino]ethyl]carbamate
CID 153127652
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
CID 86697210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate (CID 58458787) is tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate is Cc1cc(C)c(C(=O)NCCNC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is YIHITJZNJLRAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-8-10(2)20-11(9)12(17)15-6-7-16-13(18)19-14(3,4)5/h8H,6-7H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 298.41 g/mol, XLogP of 2.62, 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-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 58458787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).