N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide

C11H18N2O2S2 — CID 107028742

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESCOCCN(C)CCNC(=O)c1cc(S)cs1
InChIInChI=1S/C11H18N2O2S2/c1-13(5-6-15-2)4-3-12-11(14)10-7-9(16)8-17-10/h7-8,16H,3-6H2,1-2H3,(H,12,14)
InChIKeyNEXSIRRIZGDLBH-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.34
Rot. Bonds7

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107028742) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107028742
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESCOCCN(C)CCNC(=O)c1cc(S)cs1
InChIInChI=1S/C11H18N2O2S2/c1-13(5-6-15-2)4-3-12-11(14)10-7-9(16)8-17-10/h7-8,16H,3-6H2,1-2H3,(H,12,14)
InChIKeyNEXSIRRIZGDLBH-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62845386
5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 63859816
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 104852655

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide (CID 107028742) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide is COCCN(C)CCNC(=O)c1cc(S)cs1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is NEXSIRRIZGDLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-13(5-6-15-2)4-3-12-11(14)10-7-9(16)8-17-10/h7-8,16H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107028742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).