N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

C19H23N3O3S2 — CID 42350352

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C(C)C)nc1-c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-14(2)22-13-18(19(21-22)17-9-6-12-26-17)27(23,24)20-11-10-15-7-4-5-8-16(15)25-3/h4-9,12-14,20H,10-11H2,1-3H3
InChIKeyLEAYLZUQVDDLIU-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.72
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350352) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350352
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C(C)C)nc1-c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-14(2)22-13-18(19(21-22)17-9-6-12-26-17)27(23,24)20-11-10-15-7-4-5-8-16(15)25-3/h4-9,12-14,20H,10-11H2,1-3H3
InChIKeyLEAYLZUQVDDLIU-UHFFFAOYSA-N
XLogP3.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350344
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106259655
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346454

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350352) is N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1cn(C(C)C)nc1-c1cccs1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is LEAYLZUQVDDLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-14(2)22-13-18(19(21-22)17-9-6-12-26-17)27(23,24)20-11-10-15-7-4-5-8-16(15)25-3/h4-9,12-14,20H,10-11H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 405.55 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).