N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide

C14H19NO3S — CID 4524421

IUPACN-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11-2-4-12(5-3-11)10-19(17,18)9-8-14(16)15-13-6-7-13/h2-5,13H,6-10H2,1H3,(H,15,16)
InChIKeyWVPYQEWCGPFROV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.58
Rot. Bonds6

About N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 4524421) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID4524421
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11-2-4-12(5-3-11)10-19(17,18)9-8-14(16)15-13-6-7-13/h2-5,13H,6-10H2,1H3,(H,15,16)
InChIKeyWVPYQEWCGPFROV-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 5104442
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 5344310
(E)-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 5733085
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 5933601
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
2-(benzylsulfonyl)-N,N-diisobutylacetamide
CID 2218678
2-(benzylthio)-N-cyclopentylpropanamide
CID 2889434
3-[(4-methylbenzyl)sulfonyl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 3239891
N-cyclopentyl-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 3241615
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 4524421) is N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is WVPYQEWCGPFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11-2-4-12(5-3-11)10-19(17,18)9-8-14(16)15-13-6-7-13/h2-5,13H,6-10H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 281.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4524421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).