N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

C27H32N4O4S — CID 66997710

IUPACN-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@H](C)N)CC3C)cccc12
InChIInChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-6-11-22-21(24)10-7-13-25(22)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18?,19-,23?/m0/s1
InChIKeySRORZPOYPBBNET-KPRXVCGWSA-N
MW508.64 g/mol
LogP3.26
Rot. Bonds6

About N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (PubChem CID 66997710) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
PubChem CID66997710
Molecular FormulaC27H32N4O4S
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC NameN-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@H](C)N)CC3C)cccc12
InChIInChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-6-11-22-21(24)10-7-13-25(22)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18?,19-,23?/m0/s1
InChIKeySRORZPOYPBBNET-KPRXVCGWSA-N
XLogP3.26
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3S,4S)-1-[(2S)-2-aminopropanoyl]-3-ethylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;methane
CID 159257922
ethyl (3R,4R)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656310
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
N-[4-[[(3S,4R)-1-butanoyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656421
2-methyl-N-[4-[[3-methyl-1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 66998053
tert-butyl 4-[2-[(3R,4S)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 71033142
N-[4-[[(3S,4R)-1-(2-amino-2-methylpropanoyl)-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;N-[4-[[(3R,4R)-1-(2-amino-2-methylpropanoyl)-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;N-[4-[[(3S,4S)-1-(2-amino-2-methylpropanoyl)-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;2-methyl-N-[4-[[(3R,4R)-3-methyl-1-[(2S)-2-(methylamino)propanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide;2-methyl-N-[4-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 161432912
(3S,4R)-3-ethyl-N,N-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
CID 66998687
ethyl (3R,4R)-3-(hydroxymethyl)-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 86594775
diethyl (3R,4R)-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1,3-dicarboxylate
CID 86594776
2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59718013
N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66998594

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The IUPAC name of N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (CID 66997710) is N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@H](C)N)CC3C)cccc12.
What is the InChIKey of N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The InChIKey is SRORZPOYPBBNET-KPRXVCGWSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-6-11-22-21(24)10-7-13-25(22)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18?,19-,23?/m0/s1.
What are the key properties of N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide has a molecular weight of 508.64 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is sourced from PubChem (CID 66997710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).