N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide

C19H24N2O3S — CID 46599009

IUPACN-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-13(2)24-12-16-8-5-4-7-15(16)11-20-18(22)14(3)21-19(23)17-9-6-10-25-17/h4-10,13-14H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDNAQXZYNTWZBRE-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.11
Rot. Bonds8

About N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 46599009) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
PubChem CID46599009
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-13(2)24-12-16-8-5-4-7-15(16)11-20-18(22)14(3)21-19(23)17-9-6-10-25-17/h4-10,13-14H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDNAQXZYNTWZBRE-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
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N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
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N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
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N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
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N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
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CID 103152904
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
N-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016634
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide (CID 46599009) is N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide is CC(C)OCc1ccccc1CNC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is DNAQXZYNTWZBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)24-12-16-8-5-4-7-15(16)11-20-18(22)14(3)21-19(23)17-9-6-10-25-17/h4-10,13-14H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46599009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).