N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide

C16H17ClN2O3S — CID 51895048

IUPACN-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N[C@H](C)Cc2cccs2)cc1Cl
InChIInChI=1S/C16H17ClN2O3S/c1-10(8-12-4-3-7-23-12)18-15(20)16(21)19-11-5-6-14(22-2)13(17)9-11/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)/t10-/m1/s1
InChIKeyMTGPCWDUEJKCOJ-SNVBAGLBSA-N
MW352.84 g/mol
LogP3.10
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide

N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide (PubChem CID 51895048) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
PubChem CID51895048
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N[C@H](C)Cc2cccs2)cc1Cl
InChIInChI=1S/C16H17ClN2O3S/c1-10(8-12-4-3-7-23-12)18-15(20)16(21)19-11-5-6-14(22-2)13(17)9-11/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)/t10-/m1/s1
InChIKeyMTGPCWDUEJKCOJ-SNVBAGLBSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.10
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

N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 99619776
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895040
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108501268
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 60524145
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide (CID 51895048) is N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide is COc1ccc(NC(=O)C(=O)N[C@H](C)Cc2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The InChIKey is MTGPCWDUEJKCOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10(8-12-4-3-7-23-12)18-15(20)16(21)19-11-5-6-14(22-2)13(17)9-11/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)/t10-/m1/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide has a molecular weight of 352.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide is sourced from PubChem (CID 51895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).