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

C23H29N3O4S — CID 163629847

IUPACN-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CN(C)C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-17-8-12-20(13-9-17)24-23(28)25-31(29,30)21-14-10-18(11-15-21)16-26(2)22(27)19-6-4-3-5-7-19/h3-7,10-11,14-15,17,20H,8-9,12-13,16H2,1-2H3,(H2,24,25,28)
InChIKeyHVDJNDXVKAHXJQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.53
Rot. Bonds6

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

N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide (PubChem CID 163629847) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
PubChem CID163629847
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CN(C)C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-17-8-12-20(13-9-17)24-23(28)25-31(29,30)21-14-10-18(11-15-21)16-26(2)22(27)19-6-4-3-5-7-19/h3-7,10-11,14-15,17,20H,8-9,12-13,16H2,1-2H3,(H2,24,25,28)
InChIKeyHVDJNDXVKAHXJQ-UHFFFAOYSA-N
XLogP3.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
The IUPAC name of N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide (CID 163629847) is N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide is CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CN(C)C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
The InChIKey is HVDJNDXVKAHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-8-12-20(13-9-17)24-23(28)25-31(29,30)21-14-10-18(11-15-21)16-26(2)22(27)19-6-4-3-5-7-19/h3-7,10-11,14-15,17,20H,8-9,12-13,16H2,1-2H3,(H2,24,25,28).
What are the key properties of N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide?
N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 163629847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).