4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C23H27N3O5S — CID 2940828

IUPAC4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-17-8-9-18(16-21(17)32(29,30)26-12-14-31-15-13-26)22(27)24-20-7-3-2-6-19(20)23(28)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,24,27)
InChIKeyYXGYLRFQKYZEJH-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.50
Rot. Bonds5

About 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 2940828) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID2940828
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-17-8-9-18(16-21(17)32(29,30)26-12-14-31-15-13-26)22(27)24-20-7-3-2-6-19(20)23(28)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,24,27)
InChIKeyYXGYLRFQKYZEJH-UHFFFAOYSA-N
XLogP2.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696
N-(2-carbamoylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 50946665
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
2-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 1378927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 2940828) is 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is YXGYLRFQKYZEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-17-8-9-18(16-21(17)32(29,30)26-12-14-31-15-13-26)22(27)24-20-7-3-2-6-19(20)23(28)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,24,27).
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2940828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).