1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea

C19H30N6O3S2 — CID 175712998

IUPAC1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
SMILESCCc1csc(CC)c1N(C(N)=O)S(=O)(=O)N(c1cnn(C)c1)C1CCCN(C)C1
InChIInChI=1S/C19H30N6O3S2/c1-5-14-13-29-17(6-2)18(14)25(19(20)26)30(27,28)24(16-10-21-23(4)12-16)15-8-7-9-22(3)11-15/h10,12-13,15H,5-9,11H2,1-4H3,(H2,20,26)
InChIKeyQWEQLIRYXGEGMJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP2.34
Rot. Bonds7

About 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea

1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea (PubChem CID 175712998) has the molecular formula C19H30N6O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea.

Molecular Properties

Compound Name1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
PubChem CID175712998
Molecular FormulaC19H30N6O3S2
Molecular Weight454.62 g/mol
Exact Mass454.18
IUPAC Name1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
SMILESCCc1csc(CC)c1N(C(N)=O)S(=O)(=O)N(c1cnn(C)c1)C1CCCN(C)C1
InChIInChI=1S/C19H30N6O3S2/c1-5-14-13-29-17(6-2)18(14)25(19(20)26)30(27,28)24(16-10-21-23(4)12-16)15-8-7-9-22(3)11-15/h10,12-13,15H,5-9,11H2,1-4H3,(H2,20,26)
InChIKeyQWEQLIRYXGEGMJ-UHFFFAOYSA-N
XLogP2.34
TPSA104.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?
The IUPAC name of 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea (CID 175712998) is 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea.
What is the SMILES notation for 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?
The canonical SMILES for 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea is CCc1csc(CC)c1N(C(N)=O)S(=O)(=O)N(c1cnn(C)c1)C1CCCN(C)C1.
What is the InChIKey of 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?
The InChIKey is QWEQLIRYXGEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3S2/c1-5-14-13-29-17(6-2)18(14)25(19(20)26)30(27,28)24(16-10-21-23(4)12-16)15-8-7-9-22(3)11-15/h10,12-13,15H,5-9,11H2,1-4H3,(H2,20,26).
What are the key properties of 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea?
1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea has a molecular weight of 454.62 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea is sourced from PubChem (CID 175712998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).