N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C19H24ClN3O4S — CID 119325854

IUPACN-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)C3CCCN3)c2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-26-16-7-9-17(10-8-16)27(24,25)22-15-5-2-4-14(12-15)13-21-19(23)18-6-3-11-20-18;/h2,4-5,7-10,12,18,20,22H,3,6,11,13H2,1H3,(H,21,23);1H
InChIKeySIDITXSIPKKDKH-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.29
Rot. Bonds7

About N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119325854) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119325854
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)C3CCCN3)c2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-26-16-7-9-17(10-8-16)27(24,25)22-15-5-2-4-14(12-15)13-21-19(23)18-6-3-11-20-18;/h2,4-5,7-10,12,18,20,22H,3,6,11,13H2,1H3,(H,21,23);1H
InChIKeySIDITXSIPKKDKH-UHFFFAOYSA-N
XLogP2.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119325854) is N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)C3CCCN3)c2)cc1.Cl.
What is the InChIKey of N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SIDITXSIPKKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-26-16-7-9-17(10-8-16)27(24,25)22-15-5-2-4-14(12-15)13-21-19(23)18-6-3-11-20-18;/h2,4-5,7-10,12,18,20,22H,3,6,11,13H2,1H3,(H,21,23);1H.
What are the key properties of N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119325854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).