N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide

C18H21N3O3S2 — CID 122264801

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccs2)n2nc(C)cc2C)cc1
InChIInChI=1S/C18H21N3O3S2/c1-13-11-14(2)21(20-13)17(18-5-4-10-25-18)12-19-26(22,23)16-8-6-15(24-3)7-9-16/h4-11,17,19H,12H2,1-3H3
InChIKeyUHXNJSJWGUOMIK-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide (PubChem CID 122264801) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide
PubChem CID122264801
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccs2)n2nc(C)cc2C)cc1
InChIInChI=1S/C18H21N3O3S2/c1-13-11-14(2)21(20-13)17(18-5-4-10-25-18)12-19-26(22,23)16-8-6-15(24-3)7-9-16/h4-11,17,19H,12H2,1-3H3
InChIKeyUHXNJSJWGUOMIK-UHFFFAOYSA-N
XLogP3.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 122264781
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4-dimethylbenzenesulfonamide
CID 122264793
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-nitrobenzenesulfonamide
CID 122264826
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide
CID 122264715
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide
CID 122244345
1-(1,2-benzoxazol-3-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
CID 122264891
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 122264672
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-propan-2-ylurea
CID 122264987
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide (CID 122264801) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2cccs2)n2nc(C)cc2C)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide?
The InChIKey is UHXNJSJWGUOMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c1-13-11-14(2)21(20-13)17(18-5-4-10-25-18)12-19-26(22,23)16-8-6-15(24-3)7-9-16/h4-11,17,19H,12H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122264801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).