CID 59886421

C28H34N4O3S — CID 59886421

IUPAC—
SMILESNC(CCCCNS(=O)(=O)c1ccccc1)CN[C]1CCc2cc(O)ccc2[C]1Cc1cccnc1
InChIInChI=1S/C28H34N4O3S/c29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21/h1-3,6-7,9-10,12-13,15,18-19,23,31-33H,4-5,8,11,14,16-17,20,29H2
InChIKeyWJQBOJWWOLOBNY-UHFFFAOYSA-N
MW506.67 g/mol
LogP3.50
Rot. Bonds12

About CID 59886421

CID 59886421 (PubChem CID 59886421) has the molecular formula C28H34N4O3S and a molecular weight of 506.67 g/mol.

Molecular Properties

Compound NameCID 59886421
PubChem CID59886421
Molecular FormulaC28H34N4O3S
Molecular Weight506.67 g/mol
Exact Mass506.24
IUPAC Name—
SMILESNC(CCCCNS(=O)(=O)c1ccccc1)CN[C]1CCc2cc(O)ccc2[C]1Cc1cccnc1
InChIInChI=1S/C28H34N4O3S/c29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21/h1-3,6-7,9-10,12-13,15,18-19,23,31-33H,4-5,8,11,14,16-17,20,29H2
InChIKeyWJQBOJWWOLOBNY-UHFFFAOYSA-N
XLogP3.50
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.67
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze CID 59886421 with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene
CID 142042685
2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;bis(2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide);2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide
CID 157366781
3-[3-[2-(benzenesulfonamido)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
CID 10764803
2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]sulfanylacetic acid
CID 11754506
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
CID 10319970
N-[4-[2-formyl-5-(pyridin-3-ylmethyl)thiophen-3-yl]butyl]benzenesulfonamide
CID 139687226
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
3-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-ylheptanoic acid
CID 57232810
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176

Frequently Asked Questions

What is the IUPAC name of CID 59886421?
The IUPAC name of CID 59886421 (CID 59886421) is not available.
What is the SMILES notation for CID 59886421?
The canonical SMILES for CID 59886421 is NC(CCCCNS(=O)(=O)c1ccccc1)CN[C]1CCc2cc(O)ccc2[C]1Cc1cccnc1.
What is the InChIKey of CID 59886421?
The InChIKey is WJQBOJWWOLOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3S/c29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21/h1-3,6-7,9-10,12-13,15,18-19,23,31-33H,4-5,8,11,14,16-17,20,29H2.
What are the key properties of CID 59886421?
CID 59886421 has a molecular weight of 506.67 g/mol, XLogP of 3.50, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59886421 is sourced from PubChem (CID 59886421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).