N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

C26H30N4O4S — CID 10255197

IUPACN-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H](C)N)CC2)c2ccccc12
InChIInChI=1S/C26H30N4O4S/c1-17-7-3-4-8-20(17)25(31)28-23-11-12-24(22-10-6-5-9-21(22)23)35(33,34)29-19-13-15-30(16-14-19)26(32)18(2)27/h3-12,18-19,29H,13-16,27H2,1-2H3,(H,28,31)/t18-/m0/s1
InChIKeyOQQKLZVLTDUCPA-SFHVURJKSA-N
MW494.62 g/mol
LogP3.02
Rot. Bonds6

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

N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (PubChem CID 10255197) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
PubChem CID10255197
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H](C)N)CC2)c2ccccc12
InChIInChI=1S/C26H30N4O4S/c1-17-7-3-4-8-20(17)25(31)28-23-11-12-24(22-10-6-5-9-21(22)23)35(33,34)29-19-13-15-30(16-14-19)26(32)18(2)27/h3-12,18-19,29H,13-16,27H2,1-2H3,(H,28,31)/t18-/m0/s1
InChIKeyOQQKLZVLTDUCPA-SFHVURJKSA-N
XLogP3.02
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The IUPAC name of N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (CID 10255197) is N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H](C)N)CC2)c2ccccc12.
What is the InChIKey of N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The InChIKey is OQQKLZVLTDUCPA-SFHVURJKSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-17-7-3-4-8-20(17)25(31)28-23-11-12-24(22-10-6-5-9-21(22)23)35(33,34)29-19-13-15-30(16-14-19)26(32)18(2)27/h3-12,18-19,29H,13-16,27H2,1-2H3,(H,28,31)/t18-/m0/s1.
What are the key properties of N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide has a molecular weight of 494.62 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is sourced from PubChem (CID 10255197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).