N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide

C19H29N3O4S — CID 59230593

IUPACN-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(C)N1C(=O)c2ccc(NCCCCCNS(=O)(=O)C(C)C)cc2C1=O
InChIInChI=1S/C19H29N3O4S/c1-13(2)22-18(23)16-9-8-15(12-17(16)19(22)24)20-10-6-5-7-11-21-27(25,26)14(3)4/h8-9,12-14,20-21H,5-7,10-11H2,1-4H3
InChIKeyHKEFFJRTOHHULV-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.60
Rot. Bonds10

About N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide

N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide (PubChem CID 59230593) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
PubChem CID59230593
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(C)N1C(=O)c2ccc(NCCCCCNS(=O)(=O)C(C)C)cc2C1=O
InChIInChI=1S/C19H29N3O4S/c1-13(2)22-18(23)16-9-8-15(12-17(16)19(22)24)20-10-6-5-7-11-21-27(25,26)14(3)4/h8-9,12-14,20-21H,5-7,10-11H2,1-4H3
InChIKeyHKEFFJRTOHHULV-UHFFFAOYSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629138
N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide
CID 70938775
5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
CID 59549730
N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide
CID 118376544
N-[5-(4-butoxy-3-hydroxyanilino)pentyl]propane-2-sulfonamide
CID 70939723
N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629318
N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
CID 70939605
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide
CID 59230914
N-[5-[3-chloro-4-[cyano(phenyl)methyl]anilino]pentyl]propane-2-sulfonamide
CID 70938957
5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione
CID 59230472

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide (CID 59230593) is N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide is CC(C)N1C(=O)c2ccc(NCCCCCNS(=O)(=O)C(C)C)cc2C1=O.
What is the InChIKey of N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide?
The InChIKey is HKEFFJRTOHHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-13(2)22-18(23)16-9-8-15(12-17(16)19(22)24)20-10-6-5-7-11-21-27(25,26)14(3)4/h8-9,12-14,20-21H,5-7,10-11H2,1-4H3.
What are the key properties of N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide?
N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 59230593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).