2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide

C14H16N2O2S3 — CID 61454526

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
SMILESCCc1ccc(S(=O)(=O)NC(C(N)=S)c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S3/c1-2-11-8-9-12(20-11)21(17,18)16-13(14(15)19)10-6-4-3-5-7-10/h3-9,13,16H,2H2,1H3,(H2,15,19)
InChIKeyIHLUWCCJXADDCQ-UHFFFAOYSA-N
MW340.50 g/mol
LogP2.62
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide

2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide (PubChem CID 61454526) has the molecular formula C14H16N2O2S3 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
PubChem CID61454526
Molecular FormulaC14H16N2O2S3
Molecular Weight340.50 g/mol
Exact Mass340.04
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
SMILESCCc1ccc(S(=O)(=O)NC(C(N)=S)c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S3/c1-2-11-8-9-12(20-11)21(17,18)16-13(14(15)19)10-6-4-3-5-7-10/h3-9,13,16H,2H2,1H3,(H2,15,19)
InChIKeyIHLUWCCJXADDCQ-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 110286882
3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
CID 62093885
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide
CID 61124491
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90534466
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 65192574

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide (CID 61454526) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide is CCc1ccc(S(=O)(=O)NC(C(N)=S)c2ccccc2)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide?
The InChIKey is IHLUWCCJXADDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S3/c1-2-11-8-9-12(20-11)21(17,18)16-13(14(15)19)10-6-4-3-5-7-10/h3-9,13,16H,2H2,1H3,(H2,15,19).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide has a molecular weight of 340.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide is sourced from PubChem (CID 61454526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).