N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide

C16H17NO3S — CID 19584005

IUPACN-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC1CC1
InChIInChI=1S/C16H17NO3S/c18-16(17-14-6-7-14)9-10-21(19,20)15-8-5-12-3-1-2-4-13(12)11-15/h1-5,8,11,14H,6-7,9-10H2,(H,17,18)
InChIKeyJPOIRJLEJWPSJG-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.28
Rot. Bonds5

About N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide

N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide (PubChem CID 19584005) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
PubChem CID19584005
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC1CC1
InChIInChI=1S/C16H17NO3S/c18-16(17-14-6-7-14)9-10-21(19,20)15-8-5-12-3-1-2-4-13(12)11-15/h1-5,8,11,14H,6-7,9-10H2,(H,17,18)
InChIKeyJPOIRJLEJWPSJG-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81181099
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CID 119388771
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 119475033
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
6-naphthalen-2-ylsulfonylhexan-2-one
CID 64642402
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
7-naphthalen-2-ylsulfonylhept-1-en-3-one
CID 58338825
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
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1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide?
The IUPAC name of N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide (CID 19584005) is N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide?
The canonical SMILES for N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide?
The InChIKey is JPOIRJLEJWPSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(17-14-6-7-14)9-10-21(19,20)15-8-5-12-3-1-2-4-13(12)11-15/h1-5,8,11,14H,6-7,9-10H2,(H,17,18).
What are the key properties of N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide?
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide has a molecular weight of 303.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide is sourced from PubChem (CID 19584005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).