N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

C18H21N3O3S2 — CID 53131082

IUPACN-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)cc2C)c1
InChIInChI=1S/C18H21N3O3S2/c1-4-9-21-17(7-8-19-21)14-11-18(25-12-14)26(22,23)20-16-6-5-15(24-3)10-13(16)2/h5-8,10-12,20H,4,9H2,1-3H3
InChIKeyKTRMLKAZXSGXHO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.14
Rot. Bonds7

About N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53131082) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID53131082
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC NameN-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)cc2C)c1
InChIInChI=1S/C18H21N3O3S2/c1-4-9-21-17(7-8-19-21)14-11-18(25-12-14)26(22,23)20-16-6-5-15(24-3)10-13(16)2/h5-8,10-12,20H,4,9H2,1-3H3
InChIKeyKTRMLKAZXSGXHO-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131067
N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53130952
N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131046
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
N-(5-chloro-2-methoxyphenyl)-4-(2-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53130934
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
CID 106056025
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid
CID 63975860

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (CID 53131082) is N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is CCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)cc2C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is KTRMLKAZXSGXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c1-4-9-21-17(7-8-19-21)14-11-18(25-12-14)26(22,23)20-16-6-5-15(24-3)10-13(16)2/h5-8,10-12,20H,4,9H2,1-3H3.
What are the key properties of N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 391.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53131082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).