3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

C20H31N3O4S — CID 29299625

IUPAC3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O4S/c1-14-11-23(12-15(2)27-14)20(3,4)13-21-19(24)16-6-5-7-18(10-16)28(25,26)22-17-8-9-17/h5-7,10,14-15,17,22H,8-9,11-13H2,1-4H3,(H,21,24)/t14-,15+
InChIKeyJWMPLOVUQWTHQW-GASCZTMLSA-N
MW409.55 g/mol
LogP1.74
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (PubChem CID 29299625) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
PubChem CID29299625
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O4S/c1-14-11-23(12-15(2)27-14)20(3,4)13-21-19(24)16-6-5-7-18(10-16)28(25,26)22-17-8-9-17/h5-7,10,14-15,17,22H,8-9,11-13H2,1-4H3,(H,21,24)/t14-,15+
InChIKeyJWMPLOVUQWTHQW-GASCZTMLSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25350845
3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]benzamide
CID 24613023
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 25325612
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(methylsulfamoyl)benzamide
CID 24646229
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (CID 29299625) is 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is C[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@H](C)O1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The InChIKey is JWMPLOVUQWTHQW-GASCZTMLSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-14-11-23(12-15(2)27-14)20(3,4)13-21-19(24)16-6-5-7-18(10-16)28(25,26)22-17-8-9-17/h5-7,10,14-15,17,22H,8-9,11-13H2,1-4H3,(H,21,24)/t14-,15+.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide has a molecular weight of 409.55 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 29299625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).