3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide

C23H25N3O2S — CID 55434101

IUPAC3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCCc1ccc(-c2csc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-16(27)25-21(19-6-4-3-5-7-19)14-23(28)24-13-12-18-8-10-20(11-9-18)22-15-29-17(2)26-22/h3-11,15,21H,12-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYSGZAFZGWJIOHF-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.04
Rot. Bonds8

About 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide

3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide (PubChem CID 55434101) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide
PubChem CID55434101
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCCc1ccc(-c2csc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-16(27)25-21(19-6-4-3-5-7-19)14-23(28)24-13-12-18-8-10-20(11-9-18)22-15-29-17(2)26-22/h3-11,15,21H,12-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYSGZAFZGWJIOHF-UHFFFAOYSA-N
XLogP4.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
(3R)-3-acetamido-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-phenylpropanamide
CID 8940560
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
CID 55788954

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide (CID 55434101) is 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NCCc1ccc(-c2csc(C)n2)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide?
The InChIKey is YSGZAFZGWJIOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16(27)25-21(19-6-4-3-5-7-19)14-23(28)24-13-12-18-8-10-20(11-9-18)22-15-29-17(2)26-22/h3-11,15,21H,12-14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide?
3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide has a molecular weight of 407.54 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 55434101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).