N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide

C18H22N2O5S — CID 46643139

IUPACN-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C18H22N2O5S/c1-11(20-18(22)16-6-5-7-26-16)17(21)19-10-12-8-14(24-3)15(25-4)9-13(12)23-2/h5-9,11H,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyAAWPSHLQEAPBIC-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.21
Rot. Bonds8

About N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 46643139) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
PubChem CID46643139
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C18H22N2O5S/c1-11(20-18(22)16-6-5-7-26-16)17(21)19-10-12-8-14(24-3)15(25-4)9-13(12)23-2/h5-9,11H,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyAAWPSHLQEAPBIC-UHFFFAOYSA-N
XLogP2.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489
N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46599009
N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55723714
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169
3-methoxy-4-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 103152904
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide (CID 46643139) is N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is AAWPSHLQEAPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-11(20-18(22)16-6-5-7-26-16)17(21)19-10-12-8-14(24-3)15(25-4)9-13(12)23-2/h5-9,11H,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46643139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).