N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide

C29H29N3O2S — CID 108748009

IUPACN-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)CCCCCNC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C29H29N3O2S/c1-21-10-7-8-13-25(21)29-32-26(20-35-29)22-15-17-24(18-16-22)31-27(33)14-6-3-9-19-30-28(34)23-11-4-2-5-12-23/h2,4-5,7-8,10-13,15-18,20H,3,6,9,14,19H2,1H3,(H,30,34)(H,31,33)
InChIKeyNLDPAYUCCOLJGT-UHFFFAOYSA-N
MW483.64 g/mol
LogP6.71
Rot. Bonds10

About N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide

N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide (PubChem CID 108748009) has the molecular formula C29H29N3O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
PubChem CID108748009
Molecular FormulaC29H29N3O2S
Molecular Weight483.64 g/mol
Exact Mass483.20
IUPAC NameN-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)CCCCCNC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C29H29N3O2S/c1-21-10-7-8-13-25(21)29-32-26(20-35-29)22-15-17-24(18-16-22)31-27(33)14-6-3-9-19-30-28(34)23-11-4-2-5-12-23/h2,4-5,7-8,10-13,15-18,20H,3,6,9,14,19H2,1H3,(H,30,34)(H,31,33)
InChIKeyNLDPAYUCCOLJGT-UHFFFAOYSA-N
XLogP6.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108739753
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 108748108
2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770065
N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108729171
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748089
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751433

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide (CID 108748009) is N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)CCCCCNC(=O)c3ccccc3)cc2)cs1.
What is the InChIKey of N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide?
The InChIKey is NLDPAYUCCOLJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2S/c1-21-10-7-8-13-25(21)29-32-26(20-35-29)22-15-17-24(18-16-22)31-27(33)14-6-3-9-19-30-28(34)23-11-4-2-5-12-23/h2,4-5,7-8,10-13,15-18,20H,3,6,9,14,19H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide?
N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide has a molecular weight of 483.64 g/mol, XLogP of 6.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide is sourced from PubChem (CID 108748009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).