2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide

C12H19N3O3S2 — CID 119698669

IUPAC2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CNCC2CC2)s1
InChIInChI=1S/C12H19N3O3S2/c1-13-20(17,18)12-5-4-10(19-12)7-15-11(16)8-14-6-9-2-3-9/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyICBXTOHOQPKGLN-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.27
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide (PubChem CID 119698669) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
PubChem CID119698669
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CNCC2CC2)s1
InChIInChI=1S/C12H19N3O3S2/c1-13-20(17,18)12-5-4-10(19-12)7-15-11(16)8-14-6-9-2-3-9/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyICBXTOHOQPKGLN-UHFFFAOYSA-N
XLogP0.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698668
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698670
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119698683
2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
CID 119815758
1-cyclopropyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrrole-2-carboxamide
CID 75472961
4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride
CID 166414330
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
CID 71982069
(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120920550
2-(3-ethoxycyclobutyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103164410

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide (CID 119698669) is 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide is CNS(=O)(=O)c1ccc(CNC(=O)CNCC2CC2)s1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is ICBXTOHOQPKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-13-20(17,18)12-5-4-10(19-12)7-15-11(16)8-14-6-9-2-3-9/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 119698669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).