N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide

C21H25N3O3S — CID 51392312

IUPACN-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide
SMILESCCn1cc([C@H](C)NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)n1
InChIInChI=1S/C21H25N3O3S/c1-4-24-14-20(16(3)23-24)15(2)22-21(25)11-12-28(26,27)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyVVWTYZASKKHVKX-HNNXBMFYSA-N
MW399.52 g/mol
LogP3.41
Rot. Bonds7

About N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide

N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide (PubChem CID 51392312) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide
PubChem CID51392312
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide
SMILESCCn1cc([C@H](C)NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)n1
InChIInChI=1S/C21H25N3O3S/c1-4-24-14-20(16(3)23-24)15(2)22-21(25)11-12-28(26,27)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyVVWTYZASKKHVKX-HNNXBMFYSA-N
XLogP3.41
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
CID 17024359
N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide
CID 17024037
6-(1,3-dioxoisoindol-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]hexanamide
CID 19462866
1-[3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19621893
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 19570207
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 19462809
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-nitrobenzamide
CID 19462806
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 51391304
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
CID 19584005

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide?
The IUPAC name of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide (CID 51392312) is N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide?
The canonical SMILES for N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide is CCn1cc([C@H](C)NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)n1.
What is the InChIKey of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide?
The InChIKey is VVWTYZASKKHVKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-4-24-14-20(16(3)23-24)15(2)22-21(25)11-12-28(26,27)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide?
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide has a molecular weight of 399.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide is sourced from PubChem (CID 51392312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).