N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide

C20H16ClNO3S — CID 1218507

IUPACN-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H16ClNO3S/c1-13(19(23)14-4-2-5-15(21)12-14)25-17-9-7-16(8-10-17)22-20(24)18-6-3-11-26-18/h2-13H,1H3,(H,22,24)/t13-/m1/s1
InChIKeyBXBQORCTPLZNFQ-CYBMUJFWSA-N
MW385.87 g/mol
LogP5.30
Rot. Bonds6

About N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide

N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 1218507) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID1218507
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC NameN-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H16ClNO3S/c1-13(19(23)14-4-2-5-15(21)12-14)25-17-9-7-16(8-10-17)22-20(24)18-6-3-11-26-18/h2-13H,1H3,(H,22,24)/t13-/m1/s1
InChIKeyBXBQORCTPLZNFQ-CYBMUJFWSA-N
XLogP5.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
CID 19645060
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
CID 19645150
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645148
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
1-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 63649694
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029169
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide (CID 1218507) is N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide is C[C@@H](Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is BXBQORCTPLZNFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-13(19(23)14-4-2-5-15(21)12-14)25-17-9-7-16(8-10-17)22-20(24)18-6-3-11-26-18/h2-13H,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 385.87 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1218507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).