1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea

C14H21N5O4S2 — CID 163537625

IUPAC1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea
SMILESCCN(CC)S(=O)(=O)c1c(O)c(NC(=O)Nc2ccsc2C)nn1C
InChIInChI=1S/C14H21N5O4S2/c1-5-19(6-2)25(22,23)13-11(20)12(17-18(13)4)16-14(21)15-10-7-8-24-9(10)3/h7-8,20H,5-6H2,1-4H3,(H2,15,16,17,21)
InChIKeyDYISOQWEQNASTR-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.17
Rot. Bonds6

About 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea

1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea (PubChem CID 163537625) has the molecular formula C14H21N5O4S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea.

Molecular Properties

Compound Name1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea
PubChem CID163537625
Molecular FormulaC14H21N5O4S2
Molecular Weight387.49 g/mol
Exact Mass387.10
IUPAC Name1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea
SMILESCCN(CC)S(=O)(=O)c1c(O)c(NC(=O)Nc2ccsc2C)nn1C
InChIInChI=1S/C14H21N5O4S2/c1-5-19(6-2)25(22,23)13-11(20)12(17-18(13)4)16-14(21)15-10-7-8-24-9(10)3/h7-8,20H,5-6H2,1-4H3,(H2,15,16,17,21)
InChIKeyDYISOQWEQNASTR-UHFFFAOYSA-N
XLogP2.17
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorothiophen-3-yl)-3-[3-(diethylsulfamoyl)-2-methyl-4-oxo-3H-pyrazol-5-yl]urea
CID 11553263
3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide
CID 59654504
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421340
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 102806241
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43171756
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203
1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
CID 4839383

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea?
The IUPAC name of 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea (CID 163537625) is 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea.
What is the SMILES notation for 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea?
The canonical SMILES for 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea is CCN(CC)S(=O)(=O)c1c(O)c(NC(=O)Nc2ccsc2C)nn1C.
What is the InChIKey of 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea?
The InChIKey is DYISOQWEQNASTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S2/c1-5-19(6-2)25(22,23)13-11(20)12(17-18(13)4)16-14(21)15-10-7-8-24-9(10)3/h7-8,20H,5-6H2,1-4H3,(H2,15,16,17,21).
What are the key properties of 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea?
1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea has a molecular weight of 387.49 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea is sourced from PubChem (CID 163537625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).