N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide

C16H17ClN2O3S — CID 97414515

IUPACN-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
SMILESCO[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C16H17ClN2O3S/c1-22-14(12-6-7-23-10-12)9-19-16(21)15(20)18-8-11-2-4-13(17)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyNACQMQBUZGZXLA-AWEZNQCLSA-N
MW352.84 g/mol
LogP2.52
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide

N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide (PubChem CID 97414515) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
PubChem CID97414515
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
SMILESCO[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C16H17ClN2O3S/c1-22-14(12-6-7-23-10-12)9-19-16(21)15(20)18-8-11-2-4-13(17)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyNACQMQBUZGZXLA-AWEZNQCLSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
N'-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[(4-chlorophenyl)methyl]oxamide
CID 40857959
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide (CID 97414515) is N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide is CO[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
The InChIKey is NACQMQBUZGZXLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-22-14(12-6-7-23-10-12)9-19-16(21)15(20)18-8-11-2-4-13(17)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide has a molecular weight of 352.84 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 97414515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).