N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide

C20H17NO3S — CID 19645060

IUPACN-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
SMILESCC(Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-14(19(22)15-6-3-2-4-7-15)24-17-11-9-16(10-12-17)21-20(23)18-8-5-13-25-18/h2-14H,1H3,(H,21,23)
InChIKeyIKPNPZNXXBCLFL-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.65
Rot. Bonds6

About N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide

N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide (PubChem CID 19645060) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
PubChem CID19645060
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC NameN-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
SMILESCC(Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-14(19(22)15-6-3-2-4-7-15)24-17-11-9-16(10-12-17)21-20(23)18-8-5-13-25-18/h2-14H,1H3,(H,21,23)
InChIKeyIKPNPZNXXBCLFL-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 1218507
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
CID 13292214
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029169
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-propan-2-yloxy-2-[[4-(thiophene-2-carbonylamino)phenyl]methyl]propanedioic acid
CID 154989201
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide (CID 19645060) is N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide is CC(Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide?
The InChIKey is IKPNPZNXXBCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-14(19(22)15-6-3-2-4-7-15)24-17-11-9-16(10-12-17)21-20(23)18-8-5-13-25-18/h2-14H,1H3,(H,21,23).
What are the key properties of N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide?
N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19645060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).