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

C19H21N3O2S2 — CID 53138862

IUPAC2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)n[nH]1
InChIInChI=1S/C19H21N3O2S2/c1-12-10-17(21-20-12)18-11-19(13(2)25-18)26(23,24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16,22H,5,7,9H2,1-2H3,(H,20,21)
InChIKeyDIKHCQBIVHJYIL-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.11
Rot. Bonds4

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

2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide (PubChem CID 53138862) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
PubChem CID53138862
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)n[nH]1
InChIInChI=1S/C19H21N3O2S2/c1-12-10-17(21-20-12)18-11-19(13(2)25-18)26(23,24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16,22H,5,7,9H2,1-2H3,(H,20,21)
InChIKeyDIKHCQBIVHJYIL-UHFFFAOYSA-N
XLogP4.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide (CID 53138862) is 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)n[nH]1.
What is the InChIKey of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
The InChIKey is DIKHCQBIVHJYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-12-10-17(21-20-12)18-11-19(13(2)25-18)26(23,24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16,22H,5,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide?
2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53138862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).