N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide

C22H27N3O5S — CID 26706203

IUPACN-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O5S/c1-3-16(2)23-22(27)19-9-4-5-10-20(19)24-21(26)17-7-6-8-18(15-17)31(28,29)25-11-13-30-14-12-25/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,27)(H,24,26)/t16-/m0/s1
InChIKeyXNWRVHJWLCWRMX-INIZCTEOSA-N
MW445.54 g/mol
LogP2.49
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide

N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 26706203) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
PubChem CID26706203
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O5S/c1-3-16(2)23-22(27)19-9-4-5-10-20(19)24-21(26)17-7-6-8-18(15-17)31(28,29)25-11-13-30-14-12-25/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,27)(H,24,26)/t16-/m0/s1
InChIKeyXNWRVHJWLCWRMX-INIZCTEOSA-N
XLogP2.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-butan-2-yl-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43923588
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide (CID 26706203) is N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is XNWRVHJWLCWRMX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-3-16(2)23-22(27)19-9-4-5-10-20(19)24-21(26)17-7-6-8-18(15-17)31(28,29)25-11-13-30-14-12-25/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,27)(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 26706203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).