N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide

C14H14N2O2S2 — CID 81119598

IUPACN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cc(C#CCN)cs2)c1
InChIInChI=1S/C14H14N2O2S2/c1-18-11-6-13(20-9-11)14(17)16-7-12-5-10(8-19-12)3-2-4-15/h5-6,8-9H,4,7,15H2,1H3,(H,16,17)
InChIKeyOBGRJQIWDLRTOV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds4

About N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide

N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 81119598) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide
PubChem CID81119598
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cc(C#CCN)cs2)c1
InChIInChI=1S/C14H14N2O2S2/c1-18-11-6-13(20-9-11)14(17)16-7-12-5-10(8-19-12)3-2-4-15/h5-6,8-9H,4,7,15H2,1H3,(H,16,17)
InChIKeyOBGRJQIWDLRTOV-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxythiophene-2-carboxamide
CID 81119702
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrimidine-5-carboxamide
CID 102922476
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-5-bromothiophene-3-carboxamide
CID 107964035
3-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-diethylurea
CID 79161491
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475803
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 79161253
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
N-[(4-carbamothioylphenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 81122140
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide (CID 81119598) is N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCc2cc(C#CCN)cs2)c1.
What is the InChIKey of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is OBGRJQIWDLRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-18-11-6-13(20-9-11)14(17)16-7-12-5-10(8-19-12)3-2-4-15/h5-6,8-9H,4,7,15H2,1H3,(H,16,17).
What are the key properties of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide?
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81119598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).