N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide

C23H30N4O3S — CID 42740730

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H30N4O3S/c1-6-14-27(16-22(28)24-21-15-20(23(2,3)4)25-26(21)5)31(29,30)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,15H,6,14,16H2,1-5H3,(H,24,28)
InChIKeyVMPAKBXOJAAESL-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.91
Rot. Bonds7

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide (PubChem CID 42740730) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
PubChem CID42740730
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H30N4O3S/c1-6-14-27(16-22(28)24-21-15-20(23(2,3)4)25-26(21)5)31(29,30)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,15H,6,14,16H2,1-5H3,(H,24,28)
InChIKeyVMPAKBXOJAAESL-UHFFFAOYSA-N
XLogP3.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 1067288
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 3942291
2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740710
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42734159
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 4036059
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide
CID 3980221
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 111461877

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide (CID 42740730) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide?
The InChIKey is VMPAKBXOJAAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-6-14-27(16-22(28)24-21-15-20(23(2,3)4)25-26(21)5)31(29,30)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,15H,6,14,16H2,1-5H3,(H,24,28).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide has a molecular weight of 442.59 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 42740730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).