N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide

C14H19NO3S — CID 102561766

IUPACN-(cyclobutylmethylsulfonyl)-2-phenylpropanamide
SMILESCC(C(=O)NS(=O)(=O)CC1CCC1)c1ccccc1
InChIInChI=1S/C14H19NO3S/c1-11(13-8-3-2-4-9-13)14(16)15-19(17,18)10-12-6-5-7-12/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,15,16)
InChIKeyMQSNHFHYBNVVEQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.04
Rot. Bonds5

About N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide

N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide (PubChem CID 102561766) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(cyclobutylmethylsulfonyl)-2-phenylpropanamide
PubChem CID102561766
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(cyclobutylmethylsulfonyl)-2-phenylpropanamide
SMILESCC(C(=O)NS(=O)(=O)CC1CCC1)c1ccccc1
InChIInChI=1S/C14H19NO3S/c1-11(13-8-3-2-4-9-13)14(16)15-19(17,18)10-12-6-5-7-12/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,15,16)
InChIKeyMQSNHFHYBNVVEQ-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
CID 99856024
2-(cyclohexylmethylsulfonylcarbamoylamino)benzenesulfonic acid
CID 87975070
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
1-O-[2-(cyclohexylmethylsulfonylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 126491747
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
CID 80505534
(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 6667454
methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate
CID 100752212

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide?
The IUPAC name of N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide (CID 102561766) is N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide.
What is the SMILES notation for N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide?
The canonical SMILES for N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide is CC(C(=O)NS(=O)(=O)CC1CCC1)c1ccccc1.
What is the InChIKey of N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide?
The InChIKey is MQSNHFHYBNVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11(13-8-3-2-4-9-13)14(16)15-19(17,18)10-12-6-5-7-12/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,15,16).
What are the key properties of N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide?
N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide is sourced from PubChem (CID 102561766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).