N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide

C21H21N3O2S — CID 51180502

IUPACN-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
SMILESCc1csc(N(C(=O)CCCNC(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O2S/c1-16-15-27-21(23-16)24(18-11-6-3-7-12-18)19(25)13-8-14-22-20(26)17-9-4-2-5-10-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,22,26)
InChIKeyDDEOCVFAYXADEE-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.33
Rot. Bonds7

About N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide

N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide (PubChem CID 51180502) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
PubChem CID51180502
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
SMILESCc1csc(N(C(=O)CCCNC(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O2S/c1-16-15-27-21(23-16)24(18-11-6-3-7-12-18)19(25)13-8-14-22-20(26)17-9-4-2-5-10-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,22,26)
InChIKeyDDEOCVFAYXADEE-UHFFFAOYSA-N
XLogP4.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
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-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
CID 52895835
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
CID 99807622
N-(4-oxopentyl)benzamide
CID 10798281
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
CID 75415495
(2S)-2-benzylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 51958198
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide (CID 51180502) is N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide is Cc1csc(N(C(=O)CCCNC(=O)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide?
The InChIKey is DDEOCVFAYXADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-16-15-27-21(23-16)24(18-11-6-3-7-12-18)19(25)13-8-14-22-20(26)17-9-4-2-5-10-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,22,26).
What are the key properties of N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide?
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 51180502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).