N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H18N2O3S — CID 46756520

IUPACN-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C16H18N2O3S/c1-10-6-7-13(21-3)12(9-10)18-15(19)11(2)17-16(20)14-5-4-8-22-14/h4-9,11H,1-3H3,(H,17,20)(H,18,19)
InChIKeyLMXFHPZDMLYVBB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds5

About N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46756520) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46756520
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C16H18N2O3S/c1-10-6-7-13(21-3)12(9-10)18-15(19)11(2)17-16(20)14-5-4-8-22-14/h4-9,11H,1-3H3,(H,17,20)(H,18,19)
InChIKeyLMXFHPZDMLYVBB-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126009593
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 17428438
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46625233
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46756520) is N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is COc1ccc(C)cc1NC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LMXFHPZDMLYVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-6-7-13(21-3)12(9-10)18-15(19)11(2)17-16(20)14-5-4-8-22-14/h4-9,11H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46756520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).