2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

C8H12N2O3S3 — CID 47099009

IUPAC2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESCSCC(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H12N2O3S3/c1-14-5-7(11)10-4-6-2-3-8(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13)
InChIKeyWMJMYGJFDPANGH-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.37
Rot. Bonds5

About 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (PubChem CID 47099009) has the molecular formula C8H12N2O3S3 and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
PubChem CID47099009
Molecular FormulaC8H12N2O3S3
Molecular Weight280.40 g/mol
Exact Mass280.00
IUPAC Name2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESCSCC(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H12N2O3S3/c1-14-5-7(11)10-4-6-2-3-8(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13)
InChIKeyWMJMYGJFDPANGH-UHFFFAOYSA-N
XLogP0.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 62714959
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
2,2-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103837282
2-(3-ethoxycyclobutyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103164410
4-acetyl-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperazine-1-carboximidamide
CID 119115897
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55339921
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (CID 47099009) is 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is CSCC(=O)NCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The InChIKey is WMJMYGJFDPANGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S3/c1-14-5-7(11)10-4-6-2-3-8(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13).
What are the key properties of 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide has a molecular weight of 280.40 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 47099009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).