N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C16H21NO3S — CID 3241615

IUPACN-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C16H21NO3S/c1-12-6-8-14(9-7-12)21(19,20)16(10-11-16)15(18)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyOYHFVSBATDFTMK-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.36
Rot. Bonds4

About N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 3241615) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID3241615
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C16H21NO3S/c1-12-6-8-14(9-7-12)21(19,20)16(10-11-16)15(18)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyOYHFVSBATDFTMK-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 3241615) is N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is OYHFVSBATDFTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12-6-8-14(9-7-12)21(19,20)16(10-11-16)15(18)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 307.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 3241615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).