N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide

C23H37N3O3S — CID 167339683

IUPACN-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCN(C)CC2)ccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C23H37N3O3S/c1-17-16-21(30(28,29)25-18(2)19-12-14-26(3)15-13-19)10-11-22(17)24-23(27)20-8-6-4-5-7-9-20/h10-11,16,18-20,25H,4-9,12-15H2,1-3H3,(H,24,27)
InChIKeyYMXGGZBLZCJYIK-UHFFFAOYSA-N
MW435.63 g/mol
LogP3.91
Rot. Bonds6

About N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide

N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide (PubChem CID 167339683) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide
PubChem CID167339683
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCN(C)CC2)ccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C23H37N3O3S/c1-17-16-21(30(28,29)25-18(2)19-12-14-26(3)15-13-19)10-11-22(17)24-23(27)20-8-6-4-5-7-9-20/h10-11,16,18-20,25H,4-9,12-15H2,1-3H3,(H,24,27)
InChIKeyYMXGGZBLZCJYIK-UHFFFAOYSA-N
XLogP3.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide (CID 167339683) is N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide is Cc1cc(S(=O)(=O)NC(C)C2CCN(C)CC2)ccc1NC(=O)C1CCCCCC1.
What is the InChIKey of N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide?
The InChIKey is YMXGGZBLZCJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-17-16-21(30(28,29)25-18(2)19-12-14-26(3)15-13-19)10-11-22(17)24-23(27)20-8-6-4-5-7-9-20/h10-11,16,18-20,25H,4-9,12-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide?
N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide has a molecular weight of 435.63 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 167339683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).