(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C25H28N2O3S — CID 990825

IUPAC(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H28N2O3S/c1-18(2)20-11-9-19(10-12-20)17-26-25(28)24-8-5-15-27(24)31(29,30)23-14-13-21-6-3-4-7-22(21)16-23/h3-4,6-7,9-14,16,18,24H,5,8,15,17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyMMXSADFREHBHKM-XMMPIXPASA-N
MW436.58 g/mol
LogP4.43
Rot. Bonds6

About (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 990825) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID990825
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H28N2O3S/c1-18(2)20-11-9-19(10-12-20)17-26-25(28)24-8-5-15-27(24)31(29,30)23-14-13-21-6-3-4-7-22(21)16-23/h3-4,6-7,9-14,16,18,24H,5,8,15,17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyMMXSADFREHBHKM-XMMPIXPASA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 3497150
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 990825) is (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MMXSADFREHBHKM-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18(2)20-11-9-19(10-12-20)17-26-25(28)24-8-5-15-27(24)31(29,30)23-14-13-21-6-3-4-7-22(21)16-23/h3-4,6-7,9-14,16,18,24H,5,8,15,17H2,1-2H3,(H,26,28)/t24-/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 990825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).