N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide

C14H15NO2S2 — CID 107020280

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(S)cs2)cc1
InChIInChI=1S/C14H15NO2S2/c1-17-11-4-2-10(3-5-11)6-7-15-14(16)13-8-12(18)9-19-13/h2-5,8-9,18H,6-7H2,1H3,(H,15,16)
InChIKeyRYGXBDYUVUYDQP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107020280) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107020280
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(S)cs2)cc1
InChIInChI=1S/C14H15NO2S2/c1-17-11-4-2-10(3-5-11)6-7-15-14(16)13-8-12(18)9-19-13/h2-5,8-9,18H,6-7H2,1H3,(H,15,16)
InChIKeyRYGXBDYUVUYDQP-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107029146
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24538278
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107028742
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27548616
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide (CID 107020280) is N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(S)cs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is RYGXBDYUVUYDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-17-11-4-2-10(3-5-11)6-7-15-14(16)13-8-12(18)9-19-13/h2-5,8-9,18H,6-7H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107020280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).