7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide

C17H23N3O3S — CID 119762276

IUPAC7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C17H23N3O3S/c18-10-4-2-1-3-5-15(21)19-14-8-6-13(7-9-14)11-20-16(22)12-24-17(20)23/h6-9H,1-5,10-12,18H2,(H,19,21)
InChIKeyKUNMSQNIEQRIPG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.73
Rot. Bonds9

About 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide

7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide (PubChem CID 119762276) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide
PubChem CID119762276
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C17H23N3O3S/c18-10-4-2-1-3-5-15(21)19-14-8-6-13(7-9-14)11-20-16(22)12-24-17(20)23/h6-9H,1-5,10-12,18H2,(H,19,21)
InChIKeyKUNMSQNIEQRIPG-UHFFFAOYSA-N
XLogP2.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
CID 23125162
1-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methylurea
CID 56566385
2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119311151
(E)-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56508153
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
(2S)-2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119311145
N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 16782886
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 56566646
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119311147

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide (CID 119762276) is 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1.
What is the InChIKey of 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide?
The InChIKey is KUNMSQNIEQRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c18-10-4-2-1-3-5-15(21)19-14-8-6-13(7-9-14)11-20-16(22)12-24-17(20)23/h6-9H,1-5,10-12,18H2,(H,19,21).
What are the key properties of 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide?
7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide has a molecular weight of 349.46 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide is sourced from PubChem (CID 119762276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).