N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride

C30H46ClN5O4S — CID 142643247

IUPACN-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1c(C2CCCC2)cccc1S(=O)(=O)N[C@@H](CCCc1nc[nH]c1C)C(=O)N1CCC(CC)CC1.Cl
InChIInChI=1S/C30H45N5O4S.ClH/c1-4-22-16-18-35(19-17-22)30(37)26(14-9-13-25-21(3)31-20-32-25)34-40(38,39)27-15-8-12-24(23-10-6-7-11-23)29(27)33-28(36)5-2;/h8,12,15,20,22-23,26,34H,4-7,9-11,13-14,16-19H2,1-3H3,(H,31,32)(H,33,36);1H/t26-;/m0./s1
InChIKeyDCITUGMZKSXCJZ-SNYZSRNZSA-N
MW608.25 g/mol
LogP5.46
Rot. Bonds12

About N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride

N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride (PubChem CID 142643247) has the molecular formula C30H46ClN5O4S and a molecular weight of 608.25 g/mol. Its IUPAC name is N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride
PubChem CID142643247
Molecular FormulaC30H46ClN5O4S
Molecular Weight608.25 g/mol
Exact Mass607.30
IUPAC NameN-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1c(C2CCCC2)cccc1S(=O)(=O)N[C@@H](CCCc1nc[nH]c1C)C(=O)N1CCC(CC)CC1.Cl
InChIInChI=1S/C30H45N5O4S.ClH/c1-4-22-16-18-35(19-17-22)30(37)26(14-9-13-25-21(3)31-20-32-25)34-40(38,39)27-15-8-12-24(23-10-6-7-11-23)29(27)33-28(36)5-2;/h8,12,15,20,22-23,26,34H,4-7,9-11,13-14,16-19H2,1-3H3,(H,31,32)(H,33,36);1H/t26-;/m0./s1
InChIKeyDCITUGMZKSXCJZ-SNYZSRNZSA-N
XLogP5.46
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.25
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride?
The IUPAC name of N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride (CID 142643247) is N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride is CCC(=O)Nc1c(C2CCCC2)cccc1S(=O)(=O)N[C@@H](CCCc1nc[nH]c1C)C(=O)N1CCC(CC)CC1.Cl.
What is the InChIKey of N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride?
The InChIKey is DCITUGMZKSXCJZ-SNYZSRNZSA-N. The full InChI is InChI=1S/C30H45N5O4S.ClH/c1-4-22-16-18-35(19-17-22)30(37)26(14-9-13-25-21(3)31-20-32-25)34-40(38,39)27-15-8-12-24(23-10-6-7-11-23)29(27)33-28(36)5-2;/h8,12,15,20,22-23,26,34H,4-7,9-11,13-14,16-19H2,1-3H3,(H,31,32)(H,33,36);1H/t26-;/m0./s1.
What are the key properties of N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride?
N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride has a molecular weight of 608.25 g/mol, XLogP of 5.46, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-6-[[(2S)-1-(4-ethylpiperidin-1-yl)-5-(5-methyl-1H-imidazol-4-yl)-1-oxopentan-2-yl]sulfamoyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 142643247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).