N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide

C14H19NO3S — CID 27884542

IUPACN-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C14H19NO3S/c1-9-4-7-12(19(3,17)18)8-13(9)14(16)15-10(2)11-5-6-11/h4,7-8,10-11H,5-6H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyQNXWIFLTFNPFFK-JTQLQIEISA-N
MW281.38 g/mol
LogP1.93
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide

N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 27884542) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID27884542
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C14H19NO3S/c1-9-4-7-12(19(3,17)18)8-13(9)14(16)15-10(2)11-5-6-11/h4,7-8,10-11H,5-6H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyQNXWIFLTFNPFFK-JTQLQIEISA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 115770731
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide (CID 27884542) is N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is QNXWIFLTFNPFFK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-4-7-12(19(3,17)18)8-13(9)14(16)15-10(2)11-5-6-11/h4,7-8,10-11H,5-6H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide?
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 281.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 27884542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).