N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H26N4O3S2 — CID 24608787

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C17H26N4O3S2/c1-6-21(7-2)26(23,24)17-9-8-14(25-17)11-18-16(22)10-15-12(3)19-20(5)13(15)4/h8-9H,6-7,10-11H2,1-5H3,(H,18,22)
InChIKeyMILHJNYLWPFBGJ-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.99
Rot. Bonds8

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 24608787) has the molecular formula C17H26N4O3S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID24608787
Molecular FormulaC17H26N4O3S2
Molecular Weight398.55 g/mol
Exact Mass398.14
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C17H26N4O3S2/c1-6-21(7-2)26(23,24)17-9-8-14(25-17)11-18-16(22)10-15-12(3)19-20(5)13(15)4/h8-9H,6-7,10-11H2,1-5H3,(H,18,22)
InChIKeyMILHJNYLWPFBGJ-UHFFFAOYSA-N
XLogP1.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide
CID 119122085
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 35211873
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24598619
5-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362975
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 24608787) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MILHJNYLWPFBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S2/c1-6-21(7-2)26(23,24)17-9-8-14(25-17)11-18-16(22)10-15-12(3)19-20(5)13(15)4/h8-9H,6-7,10-11H2,1-5H3,(H,18,22).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 398.55 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24608787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).