4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

C19H25N3O4S2 — CID 55624645

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)s3)cc2)CC(C)O1
InChIInChI=1S/C19H25N3O4S2/c1-13-10-22(11-14(2)26-13)12-15-3-5-16(6-4-15)19(23)21-9-17-7-8-18(27-17)28(20,24)25/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyBFTZNHCGSXZXPG-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.93
Rot. Bonds6

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (PubChem CID 55624645) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
PubChem CID55624645
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)s3)cc2)CC(C)O1
InChIInChI=1S/C19H25N3O4S2/c1-13-10-22(11-14(2)26-13)12-15-3-5-16(6-4-15)19(23)21-9-17-7-8-18(27-17)28(20,24)25/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyBFTZNHCGSXZXPG-UHFFFAOYSA-N
XLogP1.93
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 46417255
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
N-[(5-sulfamoylthiophen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24574708
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 51940382

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (CID 55624645) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is CC1CN(Cc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)s3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The InChIKey is BFTZNHCGSXZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-13-10-22(11-14(2)26-13)12-15-3-5-16(6-4-15)19(23)21-9-17-7-8-18(27-17)28(20,24)25/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 55624645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).