4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide

C22H27ClN4O4S — CID 21388992

IUPAC4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C22H27ClN4O4S/c1-16-15-18(7-10-20(16)23)21(28)24-12-11-17-5-8-19(9-6-17)32(30,31)26-22(29)25-27-13-3-2-4-14-27/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyUJDDBVCEPOCXEO-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.01
Rot. Bonds7

About 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide

4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide (PubChem CID 21388992) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
PubChem CID21388992
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC Name4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C22H27ClN4O4S/c1-16-15-18(7-10-20(16)23)21(28)24-12-11-17-5-8-19(9-6-17)32(30,31)26-22(29)25-27-13-3-2-4-14-27/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyUJDDBVCEPOCXEO-UHFFFAOYSA-N
XLogP3.01
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-ethenyl-1,2-oxazole-3-carboxamide
CID 163869068
4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide
CID 163836914
3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
CID 21389041
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
CID 154385571
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
CID 3438717
1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea;1-butyl-3-(4-methylphenyl)sulfonylurea
CID 66869930
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide (CID 21388992) is 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide is Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCC3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
The InChIKey is UJDDBVCEPOCXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c1-16-15-18(7-10-20(16)23)21(28)24-12-11-17-5-8-19(9-6-17)32(30,31)26-22(29)25-27-13-3-2-4-14-27/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide?
4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide has a molecular weight of 479.00 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 21388992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).