(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide

C21H28N2O3S — CID 8779523

IUPAC(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C21H28N2O3S/c1-15(2)23(16(3)4)21(24)20-10-7-13-22(20)27(25,26)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20H,7,10,13H2,1-4H3/t20-/m0/s1
InChIKeyMCPTZGBSVPGRJJ-FQEVSTJZSA-N
MW388.53 g/mol
LogP3.64
Rot. Bonds5

About (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide

(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 8779523) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
PubChem CID8779523
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C21H28N2O3S/c1-15(2)23(16(3)4)21(24)20-10-7-13-22(20)27(25,26)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20H,7,10,13H2,1-4H3/t20-/m0/s1
InChIKeyMCPTZGBSVPGRJJ-FQEVSTJZSA-N
XLogP3.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779806
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150

Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide (CID 8779523) is (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide is CC(C)N(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is MCPTZGBSVPGRJJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)23(16(3)4)21(24)20-10-7-13-22(20)27(25,26)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20H,7,10,13H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8779523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).