N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide

C23H28N2O6S — CID 42045896

IUPACN-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c(OC)c1
InChIInChI=1S/C23H28N2O6S/c1-29-17-9-10-18(21(14-17)31-3)19-5-4-12-25(19)23(26)15-6-11-20(30-2)22(13-15)32(27,28)24-16-7-8-16/h6,9-11,13-14,16,19,24H,4-5,7-8,12H2,1-3H3/t19-/m1/s1
InChIKeyXLKCFGIMCCLVOF-LJQANCHMSA-N
MW460.55 g/mol
LogP3.13
Rot. Bonds8

About N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide

N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide (PubChem CID 42045896) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
PubChem CID42045896
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c(OC)c1
InChIInChI=1S/C23H28N2O6S/c1-29-17-9-10-18(21(14-17)31-3)19-5-4-12-25(19)23(26)15-6-11-20(30-2)22(13-15)32(27,28)24-16-7-8-16/h6,9-11,13-14,16,19,24H,4-5,7-8,12H2,1-3H3/t19-/m1/s1
InChIKeyXLKCFGIMCCLVOF-LJQANCHMSA-N
XLogP3.13
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 46637078
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 55456062
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46510365
3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27034304
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide (CID 42045896) is N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide is COc1ccc([C@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide?
The InChIKey is XLKCFGIMCCLVOF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-29-17-9-10-18(21(14-17)31-3)19-5-4-12-25(19)23(26)15-6-11-20(30-2)22(13-15)32(27,28)24-16-7-8-16/h6,9-11,13-14,16,19,24H,4-5,7-8,12H2,1-3H3/t19-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide?
N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide has a molecular weight of 460.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 42045896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).