N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide

C24H32N4O4S — CID 21389104

IUPACN-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide
SMILESCC1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H32N4O4S/c1-19-14-17-28(18-15-19)26-24(30)27-33(31,32)22-10-7-21(8-11-22)13-16-25-23(29)12-9-20-5-3-2-4-6-20/h2-8,10-11,19H,9,12-18H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyILJNGEPRVBYFBZ-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.61
Rot. Bonds9

About N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide

N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide (PubChem CID 21389104) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide
PubChem CID21389104
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide
SMILESCC1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H32N4O4S/c1-19-14-17-28(18-15-19)26-24(30)27-33(31,32)22-10-7-21(8-11-22)13-16-25-23(29)12-9-20-5-3-2-4-6-20/h2-8,10-11,19H,9,12-18H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyILJNGEPRVBYFBZ-UHFFFAOYSA-N
XLogP2.61
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
CID 21389041
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
CID 21389065
1-(2-ethylbutyl)-3-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2H-pyridine-6-carboxylic acid
CID 54248232
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
4-[4-oxo-4-(2-phenylethylamino)butyl]benzenesulfonic acid
CID 23037515
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002
2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 21389080
N-[2-[4-(cyclohexylsulfanylcarbamoylsulfamoyl)phenyl]ethyl]-4-methyl-2-oxopiperidine-1-carboxamide
CID 20504604

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide (CID 21389104) is N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide is CC1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide?
The InChIKey is ILJNGEPRVBYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-19-14-17-28(18-15-19)26-24(30)27-33(31,32)22-10-7-21(8-11-22)13-16-25-23(29)12-9-20-5-3-2-4-6-20/h2-8,10-11,19H,9,12-18H2,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide?
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide has a molecular weight of 472.61 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 21389104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).