N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide

C27H23ClN4O3S — CID 4020241

IUPACN-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CC(NC(=O)c3ccccc3Cl)c3ccccc3)n2)cc1
InChIInChI=1S/C27H23ClN4O3S/c1-17(33)29-20-13-11-19(12-14-20)24-16-36-27(31-24)32-25(34)15-23(18-7-3-2-4-8-18)30-26(35)21-9-5-6-10-22(21)28/h2-14,16,23H,15H2,1H3,(H,29,33)(H,30,35)(H,31,32,34)
InChIKeyPIVLUDSJNHRUNK-UHFFFAOYSA-N
MW519.03 g/mol
LogP5.92
Rot. Bonds8

About N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide

N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide (PubChem CID 4020241) has the molecular formula C27H23ClN4O3S and a molecular weight of 519.03 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
PubChem CID4020241
Molecular FormulaC27H23ClN4O3S
Molecular Weight519.03 g/mol
Exact Mass518.12
IUPAC NameN-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CC(NC(=O)c3ccccc3Cl)c3ccccc3)n2)cc1
InChIInChI=1S/C27H23ClN4O3S/c1-17(33)29-20-13-11-19(12-14-20)24-16-36-27(31-24)32-25(34)15-23(18-7-3-2-4-8-18)30-26(35)21-9-5-6-10-22(21)28/h2-14,16,23H,15H2,1H3,(H,29,33)(H,30,35)(H,31,32,34)
InChIKeyPIVLUDSJNHRUNK-UHFFFAOYSA-N
XLogP5.92
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.03
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide with MolForge

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Related Compounds

N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 55435292
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 24686062
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
N-[(1R)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2441003
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide (CID 4020241) is N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CC(NC(=O)c3ccccc3Cl)c3ccccc3)n2)cc1.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The InChIKey is PIVLUDSJNHRUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O3S/c1-17(33)29-20-13-11-19(12-14-20)24-16-36-27(31-24)32-25(34)15-23(18-7-3-2-4-8-18)30-26(35)21-9-5-6-10-22(21)28/h2-14,16,23H,15H2,1H3,(H,29,33)(H,30,35)(H,31,32,34).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide has a molecular weight of 519.03 g/mol, XLogP of 5.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide is sourced from PubChem (CID 4020241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).