N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide

C14H14N2O2S2 — CID 79802455

IUPACN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(OCC(N)=S)cc1
InChIInChI=1S/C14H14N2O2S2/c1-9-7-20-8-12(9)14(17)16-10-2-4-11(5-3-10)18-6-13(15)19/h2-5,7-8H,6H2,1H3,(H2,15,19)(H,16,17)
InChIKeyMGRREFNNPHKCFE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds5

About N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide

N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide (PubChem CID 79802455) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide
PubChem CID79802455
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(OCC(N)=S)cc1
InChIInChI=1S/C14H14N2O2S2/c1-9-7-20-8-12(9)14(17)16-10-2-4-11(5-3-10)18-6-13(15)19/h2-5,7-8H,6H2,1H3,(H2,15,19)(H,16,17)
InChIKeyMGRREFNNPHKCFE-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide
CID 81121383
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66158522
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]pyrimidine-5-carboxamide
CID 102921815
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278
N-(6-fluoro-3-pyridinyl)-4-methylthiophene-3-carboxamide
CID 103789592
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
CID 43369436
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
2-(4-methylphenoxy)ethanethioamide
CID 7745454
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
CID 43369242
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide (CID 79802455) is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ccc(OCC(N)=S)cc1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide?
The InChIKey is MGRREFNNPHKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-9-7-20-8-12(9)14(17)16-10-2-4-11(5-3-10)18-6-13(15)19/h2-5,7-8H,6H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide?
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).