5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide

C20H23N3O2S2 — CID 53138907

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
SMILESCc1[nH]nc(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)c1C
InChIInChI=1S/C20H23N3O2S2/c1-12-13(2)21-22-20(12)18-11-19(14(3)26-18)27(24,25)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,11,17,23H,6,8,10H2,1-3H3,(H,21,22)
InChIKeyJVSKXVULCIYOPZ-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.42
Rot. Bonds4

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide (PubChem CID 53138907) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
PubChem CID53138907
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
SMILESCc1[nH]nc(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)c1C
InChIInChI=1S/C20H23N3O2S2/c1-12-13(2)21-22-20(12)18-11-19(14(3)26-18)27(24,25)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,11,17,23H,6,8,10H2,1-3H3,(H,21,22)
InChIKeyJVSKXVULCIYOPZ-UHFFFAOYSA-N
XLogP4.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide (CID 53138907) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide is Cc1[nH]nc(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The InChIKey is JVSKXVULCIYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-12-13(2)21-22-20(12)18-11-19(14(3)26-18)27(24,25)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,11,17,23H,6,8,10H2,1-3H3,(H,21,22).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide has a molecular weight of 401.56 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53138907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).