(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C20H30N2O4S — CID 110285844

IUPAC(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C20H30N2O4S/c1-14-13-19(15(2)12-18(14)26-3)27(24,25)22-11-7-10-17(22)20(23)21-16-8-5-4-6-9-16/h12-13,16-17H,4-11H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyMGTRXMHYFVSEQI-KRWDZBQOSA-N
MW394.54 g/mol
LogP2.91
Rot. Bonds5

About (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 110285844) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID110285844
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C20H30N2O4S/c1-14-13-19(15(2)12-18(14)26-3)27(24,25)22-11-7-10-17(22)20(23)21-16-8-5-4-6-9-16/h12-13,16-17H,4-11H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyMGTRXMHYFVSEQI-KRWDZBQOSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 42955237
(2R)-1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 120606502
methyl 4-[(2R)-2-(cycloheptylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063581
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285957
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
methyl 2-[[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate
CID 2428916
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 110285844) is (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is MGTRXMHYFVSEQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-14-13-19(15(2)12-18(14)26-3)27(24,25)22-11-7-10-17(22)20(23)21-16-8-5-4-6-9-16/h12-13,16-17H,4-11H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110285844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).