N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

C22H22N4O4S — CID 42208889

IUPACN-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H22N4O4S/c1-14(27)23-16-8-10-19(30-2)18(12-16)25-20(28)11-9-17-13-31-22(24-17)26-21(29)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,27)(H,25,28)(H,24,26,29)
InChIKeyRCAUKKODQFOEAP-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.93
Rot. Bonds8

About N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42208889) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42208889
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H22N4O4S/c1-14(27)23-16-8-10-19(30-2)18(12-16)25-20(28)11-9-17-13-31-22(24-17)26-21(29)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,27)(H,25,28)(H,24,26,29)
InChIKeyRCAUKKODQFOEAP-UHFFFAOYSA-N
XLogP3.93
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208483
N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 27378495
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
N-[4-[3-(2-ethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 42208585
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
3-acetamido-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110764330
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (CID 42208889) is N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RCAUKKODQFOEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-14(27)23-16-8-10-19(30-2)18(12-16)25-20(28)11-9-17-13-31-22(24-17)26-21(29)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,27)(H,25,28)(H,24,26,29).
What are the key properties of N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42208889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).