N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide

C14H15NOS2 — CID 4187791

IUPACN-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(S)c1ccccc1
InChIInChI=1S/C14H15NOS2/c1-10(13(17)11-6-3-2-4-7-11)15-14(16)12-8-5-9-18-12/h2-10,13,17H,1H3,(H,15,16)
InChIKeyRLAAMGKVLHSFND-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds4

About N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide

N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 4187791) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide
PubChem CID4187791
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(S)c1ccccc1
InChIInChI=1S/C14H15NOS2/c1-10(13(17)11-6-3-2-4-7-11)15-14(16)12-8-5-9-18-12/h2-10,13,17H,1H3,(H,15,16)
InChIKeyRLAAMGKVLHSFND-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide (CID 4187791) is N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(S)c1ccccc1.
What is the InChIKey of N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is RLAAMGKVLHSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-10(13(17)11-6-3-2-4-7-11)15-14(16)12-8-5-9-18-12/h2-10,13,17H,1H3,(H,15,16).
What are the key properties of N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide?
N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-1-sulfanylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4187791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).