N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide

C25H28N4O3S — CID 108739753

IUPACN-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCCCCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H28N4O3S/c1-18(30)27-16-19-11-13-20(14-12-19)22-17-33-25(28-22)29-23(31)10-6-3-7-15-26-24(32)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1H3,(H,26,32)(H,27,30)(H,28,29,31)
InChIKeyUOKRYIRIKXJNRG-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.38
Rot. Bonds11

About N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide

N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide (PubChem CID 108739753) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
PubChem CID108739753
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCCCCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H28N4O3S/c1-18(30)27-16-19-11-13-20(14-12-19)22-17-33-25(28-22)29-23(31)10-6-3-7-15-26-24(32)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1H3,(H,26,32)(H,27,30)(H,28,29,31)
InChIKeyUOKRYIRIKXJNRG-UHFFFAOYSA-N
XLogP4.38
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
CID 108742103
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
CID 108748009
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide (CID 108739753) is N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCCCCNC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide?
The InChIKey is UOKRYIRIKXJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18(30)27-16-19-11-13-20(14-12-19)22-17-33-25(28-22)29-23(31)10-6-3-7-15-26-24(32)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1H3,(H,26,32)(H,27,30)(H,28,29,31).
What are the key properties of N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide?
N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.38, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide is sourced from PubChem (CID 108739753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).