(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C17H26N2O4S — CID 30127968

IUPAC(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C
InChIInChI=1S/C17H26N2O4S/c1-5-18(6-2)17(20)15-8-7-11-19(15)24(21,22)16-12-14(23-4)10-9-13(16)3/h9-10,12,15H,5-8,11H2,1-4H3/t15-/m0/s1
InChIKeyUSSXMQLLBKDZMT-HNNXBMFYSA-N
MW354.47 g/mol
LogP2.03
Rot. Bonds6

About (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 30127968) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID30127968
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C
InChIInChI=1S/C17H26N2O4S/c1-5-18(6-2)17(20)15-8-7-11-19(15)24(21,22)16-12-14(23-4)10-9-13(16)3/h9-10,12,15H,5-8,11H2,1-4H3/t15-/m0/s1
InChIKeyUSSXMQLLBKDZMT-HNNXBMFYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 43888284
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
(4-ethylpiperazin-1-yl)-[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 30128102
1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888426
[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 30128051
(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127867
(2S)-N-benzhydryl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128206
dimethyl 5-[[1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43888424
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 30127968) is (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C.
What is the InChIKey of (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is USSXMQLLBKDZMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-5-18(6-2)17(20)15-8-7-11-19(15)24(21,22)16-12-14(23-4)10-9-13(16)3/h9-10,12,15H,5-8,11H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 30127968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).