N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H15ClN2O2S — CID 124606726

IUPACN-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)no1
InChIInChI=1S/C17H15ClN2O2S/c1-11-9-14(20-22-11)10-16(21)19-17(15-3-2-8-23-15)12-4-6-13(18)7-5-12/h2-9,17H,10H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyRPXDRFOHCWTKTH-KRWDZBQOSA-N
MW346.84 g/mol
LogP4.15
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 124606726) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID124606726
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)no1
InChIInChI=1S/C17H15ClN2O2S/c1-11-9-14(20-22-11)10-16(21)19-17(15-3-2-8-23-15)12-4-6-13(18)7-5-12/h2-9,17H,10H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyRPXDRFOHCWTKTH-KRWDZBQOSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide 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

N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878618
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998064
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24664742
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55751214
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55866321
methyl 2-(2-chlorophenyl)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]acetate
CID 75375148
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55750209

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 124606726) is N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)no1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RPXDRFOHCWTKTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-11-9-14(20-22-11)10-16(21)19-17(15-3-2-8-23-15)12-4-6-13(18)7-5-12/h2-9,17H,10H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 124606726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).