N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide

C12H18N2O2S — CID 60643349

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-4-14(8-11(15)13-9(2)3)12(16)10-6-5-7-17-10/h5-7,9H,4,8H2,1-3H3,(H,13,15)
InChIKeyJIKSLKLYGRQAPI-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.73
Rot. Bonds5

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 60643349) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID60643349
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-4-14(8-11(15)13-9(2)3)12(16)10-6-5-7-17-10/h5-7,9H,4,8H2,1-3H3,(H,13,15)
InChIKeyJIKSLKLYGRQAPI-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 63798173
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide (CID 60643349) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is JIKSLKLYGRQAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-14(8-11(15)13-9(2)3)12(16)10-6-5-7-17-10/h5-7,9H,4,8H2,1-3H3,(H,13,15).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 60643349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).