N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide

C16H23N3O2S2 — CID 53138840

IUPACN-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NC3CCCCCC3)c(C)s2)n[nH]1
InChIInChI=1S/C16H23N3O2S2/c1-11-9-14(18-17-11)15-10-16(12(2)22-15)23(20,21)19-13-7-5-3-4-6-8-13/h9-10,13,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyAQPNFFRNBNBHDF-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.76
Rot. Bonds4

About N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide

N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (PubChem CID 53138840) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
PubChem CID53138840
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NC3CCCCCC3)c(C)s2)n[nH]1
InChIInChI=1S/C16H23N3O2S2/c1-11-9-14(18-17-11)15-10-16(12(2)22-15)23(20,21)19-13-7-5-3-4-6-8-13/h9-10,13,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyAQPNFFRNBNBHDF-UHFFFAOYSA-N
XLogP3.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
CID 46392966
N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
N-cyclohexyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835214
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898
4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol
CID 138385368
4-cyclopropyl-1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-3-amine
CID 156604414
2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(3-phenylpropyl)thiophene-3-sulfonamide
CID 53138845
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396414
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The IUPAC name of N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (CID 53138840) is N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)NC3CCCCCC3)c(C)s2)n[nH]1.
What is the InChIKey of N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The InChIKey is AQPNFFRNBNBHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-11-9-14(18-17-11)15-10-16(12(2)22-15)23(20,21)19-13-7-5-3-4-6-8-13/h9-10,13,19H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide has a molecular weight of 353.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53138840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).