N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide

C23H37N3O3S — CID 167339899

IUPACN-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide
SMILESCc1cc(S(=O)(=O)N[C@H](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)/t18-/m1/s1
InChIKeyYMXGGZBLZCJYIK-GOSISDBHSA-N
MW435.63 g/mol
LogP3.91
Rot. Bonds6

About N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide

N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide (PubChem CID 167339899) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide
PubChem CID167339899
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide
SMILESCc1cc(S(=O)(=O)N[C@H](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)/t18-/m1/s1
InChIKeyYMXGGZBLZCJYIK-GOSISDBHSA-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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Related Compounds

N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
4,8-dimethyl-6-(piperidin-1-ylsulfonyl)quinolin-2(1H)-one
CID 6324404
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
N-(2-methylpropyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527121

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide (CID 167339899) is N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide is Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)C1CCCCCC1.
What is the InChIKey of N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide?
The InChIKey is YMXGGZBLZCJYIK-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide?
N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]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-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 167339899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).