N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide

C14H14N2O3S2 — CID 81121383

IUPACN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccc(OCC(N)=S)cc2)c1
InChIInChI=1S/C14H14N2O3S2/c1-18-11-6-12(21-8-11)14(17)16-9-2-4-10(5-3-9)19-7-13(15)20/h2-6,8H,7H2,1H3,(H2,15,20)(H,16,17)
InChIKeyOZIYMPOZIKXIIV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.67
Rot. Bonds6

About N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide

N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide (PubChem CID 81121383) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide
PubChem CID81121383
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccc(OCC(N)=S)cc2)c1
InChIInChI=1S/C14H14N2O3S2/c1-18-11-6-12(21-8-11)14(17)16-9-2-4-10(5-3-9)19-7-13(15)20/h2-6,8H,7H2,1H3,(H2,15,20)(H,16,17)
InChIKeyOZIYMPOZIKXIIV-UHFFFAOYSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 79459948
N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide
CID 71982666
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide
CID 79802455
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66158522
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methoxythiophene-2-carboxamide
CID 81119743
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]pyrimidine-5-carboxamide
CID 102921815
N-(3-acetylphenyl)-4-methoxythiophene-2-carboxamide
CID 79459873
N-[(4-carbamothioylphenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 81122140
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81121736
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81122518
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methoxythiophene-2-carboxamide
CID 81121633
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide (CID 81121383) is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)Nc2ccc(OCC(N)=S)cc2)c1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is OZIYMPOZIKXIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-18-11-6-12(21-8-11)14(17)16-9-2-4-10(5-3-9)19-7-13(15)20/h2-6,8H,7H2,1H3,(H2,15,20)(H,16,17).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide?
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81121383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).