N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide

C14H14N2OS2 — CID 24708596

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide
SMILESNC(=S)CCN(C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H14N2OS2/c15-13(18)8-9-16(11-5-2-1-3-6-11)14(17)12-7-4-10-19-12/h1-7,10H,8-9H2,(H2,15,18)
InChIKeyIFUNMAWEYDNGSG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.07
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide (PubChem CID 24708596) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide
PubChem CID24708596
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide
SMILESNC(=S)CCN(C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H14N2OS2/c15-13(18)8-9-16(11-5-2-1-3-6-11)14(17)12-7-4-10-19-12/h1-7,10H,8-9H2,(H2,15,18)
InChIKeyIFUNMAWEYDNGSG-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657
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CID 65200020
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-phenylthiadiazole-5-carboxamide
CID 65205471
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N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
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1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
CID 1266863
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
N-butylthiophene-2-carbohydrazide
CID 54350563
N-(3-amino-3-sulfanylidenepropyl)-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide (CID 24708596) is N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide is NC(=S)CCN(C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide?
The InChIKey is IFUNMAWEYDNGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c15-13(18)8-9-16(11-5-2-1-3-6-11)14(17)12-7-4-10-19-12/h1-7,10H,8-9H2,(H2,15,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 24708596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).