4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide

C23H28ClN3O4S — CID 154385571

IUPAC4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)ccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-15-3-8-19(9-4-15)26-23(29)27-32(30,31)20-10-5-17(6-11-20)14-25-22(28)18-7-12-21(24)16(2)13-18/h5-7,10-13,15,19H,3-4,8-9,14H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyCCTJBUZZZYLITC-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.15
Rot. Bonds6

About 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide

4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide (PubChem CID 154385571) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
PubChem CID154385571
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)ccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-15-3-8-19(9-4-15)26-23(29)27-32(30,31)20-10-5-17(6-11-20)14-25-22(28)18-7-12-21(24)16(2)13-18/h5-7,10-13,15,19H,3-4,8-9,14H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyCCTJBUZZZYLITC-UHFFFAOYSA-N
XLogP4.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide
CID 163836914
4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 21388992
N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
CID 163629847
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978
[4-[[[4-chloro-3-(cyclopropylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9267982
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide
CID 44565017
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55846777
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide (CID 154385571) is 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide is Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
The InChIKey is CCTJBUZZZYLITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-15-3-8-19(9-4-15)26-23(29)27-32(30,31)20-10-5-17(6-11-20)14-25-22(28)18-7-12-21(24)16(2)13-18/h5-7,10-13,15,19H,3-4,8-9,14H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide has a molecular weight of 478.01 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 154385571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).