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

C14H14N2O2S2 — CID 43175560

IUPACN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C14H14N2O2S2/c1-9-6-7-20-13(9)14(17)16-10-4-2-3-5-11(10)18-8-12(15)19/h2-7H,8H2,1H3,(H2,15,19)(H,16,17)
InChIKeyISYRZFSMTUSCQC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds5

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

N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 43175560) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID43175560
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C14H14N2O2S2/c1-9-6-7-20-13(9)14(17)16-10-4-2-3-5-11(10)18-8-12(15)19/h2-7H,8H2,1H3,(H2,15,19)(H,16,17)
InChIKeyISYRZFSMTUSCQC-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-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 43369535
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 7809007
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
CID 43175553
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
CID 43369499
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide (CID 43175560) is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1OCC(N)=S.
What is the InChIKey of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is ISYRZFSMTUSCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-9-6-7-20-13(9)14(17)16-10-4-2-3-5-11(10)18-8-12(15)19/h2-7H,8H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide?
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-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-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 43175560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).