N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide

C16H13NOS2 — CID 107028283

IUPACN-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cc(S)cs1
InChIInChI=1S/C16H13NOS2/c18-16(15-8-13(19)10-20-15)17-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10,19H,9H2,(H,17,18)
InChIKeyJIUFLCAPYGZECS-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.12
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide

N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107028283) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107028283
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC NameN-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cc(S)cs1
InChIInChI=1S/C16H13NOS2/c18-16(15-8-13(19)10-20-15)17-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10,19H,9H2,(H,17,18)
InChIKeyJIUFLCAPYGZECS-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.12
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-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
CID 107028284
4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107028783
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830
N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide
CID 166202482
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide (CID 107028283) is N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide is O=C(NCc1cccc2ccccc12)c1cc(S)cs1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is JIUFLCAPYGZECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c18-16(15-8-13(19)10-20-15)17-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10,19H,9H2,(H,17,18).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107028283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).