N-(4-sulfanylphenyl)thiophene-2-carboxamide

C11H9NOS2 — CID 27126639

IUPACN-(4-sulfanylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1cccs1
InChIInChI=1S/C11H9NOS2/c13-11(10-2-1-7-15-10)12-8-3-5-9(14)6-4-8/h1-7,14H,(H,12,13)
InChIKeyXUVQHAPEOWYHHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.29
Rot. Bonds2

About N-(4-sulfanylphenyl)thiophene-2-carboxamide

N-(4-sulfanylphenyl)thiophene-2-carboxamide (PubChem CID 27126639) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-sulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-sulfanylphenyl)thiophene-2-carboxamide
PubChem CID27126639
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC NameN-(4-sulfanylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1cccs1
InChIInChI=1S/C11H9NOS2/c13-11(10-2-1-7-15-10)12-8-3-5-9(14)6-4-8/h1-7,14H,(H,12,13)
InChIKeyXUVQHAPEOWYHHD-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-sulfanylphenyl)thiophene-2-carboxamide (CID 27126639) is N-(4-sulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-sulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-sulfanylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(S)cc1)c1cccs1.
What is the InChIKey of N-(4-sulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is XUVQHAPEOWYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS2/c13-11(10-2-1-7-15-10)12-8-3-5-9(14)6-4-8/h1-7,14H,(H,12,13).
What are the key properties of N-(4-sulfanylphenyl)thiophene-2-carboxamide?
N-(4-sulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 27126639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).