10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide

C29H40N2OS2 — CID 22633518

IUPAC10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2s1
InChIInChI=1S/C29H40N2OS2/c1-21(2)23-15-14-16-24(22(3)4)28(23)31-27(32)19-10-8-6-5-7-9-13-20-33-29-30-25-17-11-12-18-26(25)34-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,31,32)
InChIKeyQMUZAJYPZLBUNF-UHFFFAOYSA-N
MW496.79 g/mol
LogP9.39
Rot. Bonds14

About 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide

10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide (PubChem CID 22633518) has the molecular formula C29H40N2OS2 and a molecular weight of 496.79 g/mol. Its IUPAC name is 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide.

Molecular Properties

Compound Name10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
PubChem CID22633518
Molecular FormulaC29H40N2OS2
Molecular Weight496.79 g/mol
Exact Mass496.26
IUPAC Name10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2s1
InChIInChI=1S/C29H40N2OS2/c1-21(2)23-15-14-16-24(22(3)4)28(23)31-27(32)19-10-8-6-5-7-9-13-20-33-29-30-25-17-11-12-18-26(25)34-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,31,32)
InChIKeyQMUZAJYPZLBUNF-UHFFFAOYSA-N
XLogP9.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide 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

(1R,2R)-2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 10269099
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
2-({2-[4-(1,3-Benzothiazol-2-yl)anilino]-2-oxoethyl}sulfanyl)acetic acid
CID 2738355
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
2-(2-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2079669
2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2085164
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-cyanocyclohexyl)acetamide
CID 4819449
4-(1,3-Benzothiazol-2-ylsulfanylmethyl)benzamide
CID 17448916
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
The IUPAC name of 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide (CID 22633518) is 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide.
What is the SMILES notation for 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
The canonical SMILES for 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2s1.
What is the InChIKey of 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
The InChIKey is QMUZAJYPZLBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2OS2/c1-21(2)23-15-14-16-24(22(3)4)28(23)31-27(32)19-10-8-6-5-7-9-13-20-33-29-30-25-17-11-12-18-26(25)34-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,31,32).
What are the key properties of 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide has a molecular weight of 496.79 g/mol, XLogP of 9.39, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide is sourced from PubChem (CID 22633518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).