(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C19H23N3O5S — CID 97334553

IUPAC(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-26-17-6-2-3-7-18(17)27-16-10-8-14(9-11-16)21-19(23)22-12-4-5-15(22)13-28(20,24)25/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t15-/m0/s1
InChIKeyYOJVVJCNSXGLIY-HNNXBMFYSA-N
MW405.48 g/mol
LogP2.77
Rot. Bonds6

About (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 97334553) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID97334553
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-26-17-6-2-3-7-18(17)27-16-10-8-14(9-11-16)21-19(23)22-12-4-5-15(22)13-28(20,24)25/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t15-/m0/s1
InChIKeyYOJVVJCNSXGLIY-HNNXBMFYSA-N
XLogP2.77
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334552
1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 56555228
N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
CID 126839206
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90585786
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2S)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257336
(2R)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257335
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 97334553) is (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide is COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1.
What is the InChIKey of (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is YOJVVJCNSXGLIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-26-17-6-2-3-7-18(17)27-16-10-8-14(9-11-16)21-19(23)22-12-4-5-15(22)13-28(20,24)25/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97334553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).