N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide

C20H25N3O2S — CID 29089458

IUPACN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
SMILESCCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2S/c1-5-22(14-20-15(3)21-23(6-2)16(20)4)26(24,25)19-12-11-17-9-7-8-10-18(17)13-19/h7-13H,5-6,14H2,1-4H3
InChIKeyUCPMPYOFBLWDAR-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide

N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 29089458) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
PubChem CID29089458
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
SMILESCCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2S/c1-5-22(14-20-15(3)21-23(6-2)16(20)4)26(24,25)19-12-11-17-9-7-8-10-18(17)13-19/h7-13H,5-6,14H2,1-4H3
InChIKeyUCPMPYOFBLWDAR-UHFFFAOYSA-N
XLogP3.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326500
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide
CID 35527308
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 29089522
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 46353462
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 22771326
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 22771442
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
N,N-diethylquinoline-7-sulfonamide
CID 143961440
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 19614574
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]naphthalene-2-sulfonamide
CID 4826340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide (CID 29089458) is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide is CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is UCPMPYOFBLWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-5-22(14-20-15(3)21-23(6-2)16(20)4)26(24,25)19-12-11-17-9-7-8-10-18(17)13-19/h7-13H,5-6,14H2,1-4H3.
What are the key properties of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 371.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 29089458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).