2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C18H20N4O3S — CID 75391651

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCn1cc(CC(CNS(=O)(=O)c2ccc3ccccc3c2)C(N)=O)cn1
InChIInChI=1S/C18H20N4O3S/c1-22-12-13(10-20-22)8-16(18(19)23)11-21-26(24,25)17-7-6-14-4-2-3-5-15(14)9-17/h2-7,9-10,12,16,21H,8,11H2,1H3,(H2,19,23)
InChIKeyHGLBVOUGCYXAFP-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.20
Rot. Bonds7

About 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 75391651) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID75391651
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCn1cc(CC(CNS(=O)(=O)c2ccc3ccccc3c2)C(N)=O)cn1
InChIInChI=1S/C18H20N4O3S/c1-22-12-13(10-20-22)8-16(18(19)23)11-21-26(24,25)17-7-6-14-4-2-3-5-15(14)9-17/h2-7,9-10,12,16,21H,8,11H2,1H3,(H2,19,23)
InChIKeyHGLBVOUGCYXAFP-UHFFFAOYSA-N
XLogP1.20
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 97075482
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 75449927
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-[(2R)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-2-chloro-4,5-dimethylbenzamide
CID 97348025
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 166186833
N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 97249352
2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908160

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 75391651) is 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is Cn1cc(CC(CNS(=O)(=O)c2ccc3ccccc3c2)C(N)=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is HGLBVOUGCYXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-22-12-13(10-20-22)8-16(18(19)23)11-21-26(24,25)17-7-6-14-4-2-3-5-15(14)9-17/h2-7,9-10,12,16,21H,8,11H2,1H3,(H2,19,23).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 372.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 75391651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).