N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride

C30H40ClN5O4S2 — CID 23448092

IUPACN-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1c(-c2cccs2)cccc1S(=O)(=O)NC(CCCc1ccc(N)nc1)C(=O)C1CNCCC1CC.Cl
InChIInChI=1S/C30H39N5O4S2.ClH/c1-3-21-15-16-32-19-23(21)30(37)24(10-5-8-20-13-14-27(31)33-18-20)35-41(38,39)26-12-6-9-22(25-11-7-17-40-25)29(26)34-28(36)4-2;/h6-7,9,11-14,17-18,21,23-24,32,35H,3-5,8,10,15-16,19H2,1-2H3,(H2,31,33)(H,34,36);1H
InChIKeyIZOGEZODRQNFDC-UHFFFAOYSA-N
MW634.27 g/mol
LogP5.04
Rot. Bonds13

About N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride

N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride (PubChem CID 23448092) has the molecular formula C30H40ClN5O4S2 and a molecular weight of 634.27 g/mol. Its IUPAC name is N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride
PubChem CID23448092
Molecular FormulaC30H40ClN5O4S2
Molecular Weight634.27 g/mol
Exact Mass633.22
IUPAC NameN-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1c(-c2cccs2)cccc1S(=O)(=O)NC(CCCc1ccc(N)nc1)C(=O)C1CNCCC1CC.Cl
InChIInChI=1S/C30H39N5O4S2.ClH/c1-3-21-15-16-32-19-23(21)30(37)24(10-5-8-20-13-14-27(31)33-18-20)35-41(38,39)26-12-6-9-22(25-11-7-17-40-25)29(26)34-28(36)4-2;/h6-7,9,11-14,17-18,21,23-24,32,35H,3-5,8,10,15-16,19H2,1-2H3,(H2,31,33)(H,34,36);1H
InChIKeyIZOGEZODRQNFDC-UHFFFAOYSA-N
XLogP5.04
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.27
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride?
The IUPAC name of N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride (CID 23448092) is N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride is CCC(=O)Nc1c(-c2cccs2)cccc1S(=O)(=O)NC(CCCc1ccc(N)nc1)C(=O)C1CNCCC1CC.Cl.
What is the InChIKey of N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride?
The InChIKey is IZOGEZODRQNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4S2.ClH/c1-3-21-15-16-32-19-23(21)30(37)24(10-5-8-20-13-14-27(31)33-18-20)35-41(38,39)26-12-6-9-22(25-11-7-17-40-25)29(26)34-28(36)4-2;/h6-7,9,11-14,17-18,21,23-24,32,35H,3-5,8,10,15-16,19H2,1-2H3,(H2,31,33)(H,34,36);1H.
What are the key properties of N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride?
N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride has a molecular weight of 634.27 g/mol, XLogP of 5.04, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-thiophen-2-ylphenyl]propanamide;hydrochloride is sourced from PubChem (CID 23448092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).