1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea

C15H20N4O3S2 — CID 86862939

IUPAC1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N(C)C(C)c2ccccn2)s1
InChIInChI=1S/C15H20N4O3S2/c1-11(13-6-4-5-9-17-13)19(3)15(20)18-10-12-7-8-14(23-12)24(21,22)16-2/h4-9,11,16H,10H2,1-3H3,(H,18,20)
InChIKeyIGXJYNIRKXZKEG-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.95
Rot. Bonds6

About 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea

1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea (PubChem CID 86862939) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
PubChem CID86862939
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N(C)C(C)c2ccccn2)s1
InChIInChI=1S/C15H20N4O3S2/c1-11(13-6-4-5-9-17-13)19(3)15(20)18-10-12-7-8-14(23-12)24(21,22)16-2/h4-9,11,16H,10H2,1-3H3,(H,18,20)
InChIKeyIGXJYNIRKXZKEG-UHFFFAOYSA-N
XLogP1.95
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 95614918
N-[[5-[cyclopropyl-[(1S)-1-pyridin-2-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 52514495
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86861279
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 47152750
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 91653331
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
CID 71982069

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea (CID 86862939) is 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea is CNS(=O)(=O)c1ccc(CNC(=O)N(C)C(C)c2ccccn2)s1.
What is the InChIKey of 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is IGXJYNIRKXZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-11(13-6-4-5-9-17-13)19(3)15(20)18-10-12-7-8-14(23-12)24(21,22)16-2/h4-9,11,16H,10H2,1-3H3,(H,18,20).
What are the key properties of 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea?
1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 368.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86862939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).