4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

C23H31N3O4S — CID 25325612

IUPAC4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
SMILESC[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C[C@H](C)O1
InChIInChI=1S/C23H31N3O4S/c1-17-14-26(15-18(2)30-17)23(3,4)16-24-22(27)19-10-12-20(13-11-19)25-31(28,29)21-8-6-5-7-9-21/h5-13,17-18,25H,14-16H2,1-4H3,(H,24,27)/t17-,18-/m0/s1
InChIKeyQKNAGGMBPGKZIT-ROUUACIJSA-N
MW445.59 g/mol
LogP3.11
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (PubChem CID 25325612) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
PubChem CID25325612
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
SMILESC[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C[C@H](C)O1
InChIInChI=1S/C23H31N3O4S/c1-17-14-26(15-18(2)30-17)23(3,4)16-24-22(27)19-10-12-20(13-11-19)25-31(28,29)21-8-6-5-7-9-21/h5-13,17-18,25H,14-16H2,1-4H3,(H,24,27)/t17-,18-/m0/s1
InChIKeyQKNAGGMBPGKZIT-ROUUACIJSA-N
XLogP3.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25350845
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646172
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(methylsulfamoyl)benzamide
CID 24646229
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (CID 25325612) is 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C[C@H](C)O1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The InChIKey is QKNAGGMBPGKZIT-ROUUACIJSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-17-14-26(15-18(2)30-17)23(3,4)16-24-22(27)19-10-12-20(13-11-19)25-31(28,29)21-8-6-5-7-9-21/h5-13,17-18,25H,14-16H2,1-4H3,(H,24,27)/t17-,18-/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 25325612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).