N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C26H29N3O5S — CID 27809533

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C26H29N3O5S/c1-33-25-13-6-5-12-24(25)28-35(31,32)23-11-7-10-21(16-23)26(30)27-17-22-19-29(14-15-34-22)18-20-8-3-2-4-9-20/h2-13,16,22,28H,14-15,17-19H2,1H3,(H,27,30)/t22-/m0/s1
InChIKeyQLXQWTMPMBSXIC-QFIPXVFZSA-N
MW495.60 g/mol
LogP3.13
Rot. Bonds9

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 27809533) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID27809533
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C26H29N3O5S/c1-33-25-13-6-5-12-24(25)28-35(31,32)23-11-7-10-21(16-23)26(30)27-17-22-19-29(14-15-34-22)18-20-8-3-2-4-9-20/h2-13,16,22,28H,14-15,17-19H2,1H3,(H,27,30)/t22-/m0/s1
InChIKeyQLXQWTMPMBSXIC-QFIPXVFZSA-N
XLogP3.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057540
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43021327
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 27809533) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is QLXQWTMPMBSXIC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-25-13-6-5-12-24(25)28-35(31,32)23-11-7-10-21(16-23)26(30)27-17-22-19-29(14-15-34-22)18-20-8-3-2-4-9-20/h2-13,16,22,28H,14-15,17-19H2,1H3,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27809533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).