N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H18N2O4S — CID 51298996

IUPACN-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)c2cccs2)cc(OC)c1
InChIInChI=1S/C16H18N2O4S/c1-10(17-16(20)14-5-4-6-23-14)15(19)18-11-7-12(21-2)9-13(8-11)22-3/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyMVHJWZNMRUWSDR-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51298996) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51298996
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)c2cccs2)cc(OC)c1
InChIInChI=1S/C16H18N2O4S/c1-10(17-16(20)14-5-4-6-23-14)15(19)18-11-7-12(21-2)9-13(8-11)22-3/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyMVHJWZNMRUWSDR-UHFFFAOYSA-N
XLogP2.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 46468453

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51298996) is N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is COc1cc(NC(=O)C(C)NC(=O)c2cccs2)cc(OC)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is MVHJWZNMRUWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10(17-16(20)14-5-4-6-23-14)15(19)18-11-7-12(21-2)9-13(8-11)22-3/h4-10H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51298996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).