ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate

C9H12N2O3S — CID 30948448

IUPACethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(C)s1
InChIInChI=1S/C9H12N2O3S/c1-3-14-9(13)11-10-8(12)7-5-4-6(2)15-7/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyZARUBQSGFSOIKR-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.45
Rot. Bonds2

About ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate

ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate (PubChem CID 30948448) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
PubChem CID30948448
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(C)s1
InChIInChI=1S/C9H12N2O3S/c1-3-14-9(13)11-10-8(12)7-5-4-6(2)15-7/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyZARUBQSGFSOIKR-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(5-chlorothiophene-2-carbonyl)amino]carbamate
CID 30948453
ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate
CID 52670529
N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2628097
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
CID 9324265
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
4,4-diethoxy-1-(5-methylthiophen-2-yl)butane-1,3-dione
CID 62111836
5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
CID 64997383
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
ethyl (Z)-2-methyl-3-(5-methylthiophen-2-yl)but-2-enoate
CID 104503462

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate (CID 30948448) is ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1ccc(C)s1.
What is the InChIKey of ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate?
The InChIKey is ZARUBQSGFSOIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-14-9(13)11-10-8(12)7-5-4-6(2)15-7/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate?
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate has a molecular weight of 228.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate is sourced from PubChem (CID 30948448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).