N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide

C17H28N4O2S2 — CID 119122085

IUPACN,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C17H28N4O2S2/c1-6-21(7-2)25(22,23)17-9-8-15(24-17)10-11-18-12-16-13(3)19-20(5)14(16)4/h8-9,18H,6-7,10-12H2,1-5H3
InChIKeyUSQVBNIKSUNBON-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.46
Rot. Bonds9

About N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide

N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide (PubChem CID 119122085) has the molecular formula C17H28N4O2S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide
PubChem CID119122085
Molecular FormulaC17H28N4O2S2
Molecular Weight384.57 g/mol
Exact Mass384.17
IUPAC NameN,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C17H28N4O2S2/c1-6-21(7-2)25(22,23)17-9-8-15(24-17)10-11-18-12-16-13(3)19-20(5)14(16)4/h8-9,18H,6-7,10-12H2,1-5H3
InChIKeyUSQVBNIKSUNBON-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24608787
N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide
CID 119122068
5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 46353490
1-(5-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60743790
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 119115386
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090
2-(1,2,4-oxadiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113253278
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113229290
1-butyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111150137
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide (CID 119122085) is N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCNCc2c(C)nn(C)c2C)s1.
What is the InChIKey of N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide?
The InChIKey is USQVBNIKSUNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S2/c1-6-21(7-2)25(22,23)17-9-8-15(24-17)10-11-18-12-16-13(3)19-20(5)14(16)4/h8-9,18H,6-7,10-12H2,1-5H3.
What are the key properties of N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide?
N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide has a molecular weight of 384.57 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119122085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).