N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide

C21H27N3O6S2 — CID 55893625

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16(17-7-9-19(10-8-17)31(26,27)23(2)3)22-21(25)18-5-4-6-20(15-18)32(28,29)24-11-13-30-14-12-24/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)
InChIKeyZWIKSHSPJDWDJS-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.45
Rot. Bonds7

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55893625) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55893625
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16(17-7-9-19(10-8-17)31(26,27)23(2)3)22-21(25)18-5-4-6-20(15-18)32(28,29)24-11-13-30-14-12-24/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)
InChIKeyZWIKSHSPJDWDJS-UHFFFAOYSA-N
XLogP1.45
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 92547331

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 55893625) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZWIKSHSPJDWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-16(17-7-9-19(10-8-17)31(26,27)23(2)3)22-21(25)18-5-4-6-20(15-18)32(28,29)24-11-13-30-14-12-24/h4-10,15-16H,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.60 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55893625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).