N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C22H26ClN3O5S — CID 55895692

IUPACN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26ClN3O5S/c1-14(2)24-21(27)16-6-7-18(23)19(12-16)25-22(28)17-5-4-15(3)20(13-17)32(29,30)26-8-10-31-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGMYFLWBCMHLVIG-UHFFFAOYSA-N
MW479.99 g/mol
LogP3.06
Rot. Bonds6

About N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55895692) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55895692
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC NameN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26ClN3O5S/c1-14(2)24-21(27)16-6-7-18(23)19(12-16)25-22(28)17-5-4-15(3)20(13-17)32(29,30)26-8-10-31-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGMYFLWBCMHLVIG-UHFFFAOYSA-N
XLogP3.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 55895692) is N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GMYFLWBCMHLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-14(2)24-21(27)16-6-7-18(23)19(12-16)25-22(28)17-5-4-15(3)20(13-17)32(29,30)26-8-10-31-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 479.99 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55895692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).