N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide

C19H28N2O3S — CID 119784568

IUPACN-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C19H28N2O3S/c22-19(13-16-8-5-11-20-16)21-17-7-4-6-15(12-17)14-25(23,24)18-9-2-1-3-10-18/h4,6-7,12,16,18,20H,1-3,5,8-11,13-14H2,(H,21,22)
InChIKeyDRXYVKKRIIGIMS-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119784568) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119784568
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C19H28N2O3S/c22-19(13-16-8-5-11-20-16)21-17-7-4-6-15(12-17)14-25(23,24)18-9-2-1-3-10-18/h4,6-7,12,16,18,20H,1-3,5,8-11,13-14H2,(H,21,22)
InChIKeyDRXYVKKRIIGIMS-UHFFFAOYSA-N
XLogP3.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119784319
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 86940159
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119784568) is N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is DRXYVKKRIIGIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-19(13-16-8-5-11-20-16)21-17-7-4-6-15(12-17)14-25(23,24)18-9-2-1-3-10-18/h4,6-7,12,16,18,20H,1-3,5,8-11,13-14H2,(H,21,22).
What are the key properties of N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 364.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119784568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).