N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

C27H31N3O4S — CID 10391001

IUPACN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1
InChIInChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
InChIKeyLOBUISIPHBRTPI-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.47
Rot. Bonds7

About N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (PubChem CID 10391001) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
PubChem CID10391001
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1
InChIInChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
InChIKeyLOBUISIPHBRTPI-UHFFFAOYSA-N
XLogP4.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
TG2-IN-3h
CID 73775533
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
CID 10006907
4-(4-Benzoylamino-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
CID 10367938
4-[4-(2-Methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid methylamide
CID 11754900
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 2279440
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 2417657

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The IUPAC name of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (CID 10391001) is N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1.
What is the InChIKey of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The InChIKey is LOBUISIPHBRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32).
What are the key properties of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide has a molecular weight of 493.63 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is sourced from PubChem (CID 10391001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).