N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide

C14H14ClNOS2 — CID 27883847

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS2/c1-10-6-8-19-13(10)14(17)16-7-9-18-12-4-2-11(15)3-5-12/h2-6,8H,7,9H2,1H3,(H,16,17)
InChIKeyIDGSBBRWVIJOCS-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.23
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide

N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide (PubChem CID 27883847) has the molecular formula C14H14ClNOS2 and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide
PubChem CID27883847
Molecular FormulaC14H14ClNOS2
Molecular Weight311.86 g/mol
Exact Mass311.02
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS2/c1-10-6-8-19-13(10)14(17)16-7-9-18-12-4-2-11(15)3-5-12/h2-6,8H,7,9H2,1H3,(H,16,17)
InChIKeyIDGSBBRWVIJOCS-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylthiophene-2-carbonyl)amino]ethyl nitrate
CID 23367112
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dimethylphenyl)urea
CID 3653715
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 2198136
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide
CID 123451427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide (CID 27883847) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is IDGSBBRWVIJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS2/c1-10-6-8-19-13(10)14(17)16-7-9-18-12-4-2-11(15)3-5-12/h2-6,8H,7,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 27883847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).