N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide

C20H20N2O2S — CID 112987822

IUPACN-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14(2)24-18-11-9-16(10-12-18)21-15-5-7-17(8-6-15)22-20(23)19-4-3-13-25-19/h3-14,21H,1-2H3,(H,22,23)
InChIKeyYLWZEOIVQVBRFW-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.53
Rot. Bonds6

About N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide

N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide (PubChem CID 112987822) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
PubChem CID112987822
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14(2)24-18-11-9-16(10-12-18)21-15-5-7-17(8-6-15)22-20(23)19-4-3-13-25-19/h3-14,21H,1-2H3,(H,22,23)
InChIKeyYLWZEOIVQVBRFW-UHFFFAOYSA-N
XLogP5.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
CID 19645060
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 1218507
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
CID 2307498
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide (CID 112987822) is N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide is CC(C)Oc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide?
The InChIKey is YLWZEOIVQVBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14(2)24-18-11-9-16(10-12-18)21-15-5-7-17(8-6-15)22-20(23)19-4-3-13-25-19/h3-14,21H,1-2H3,(H,22,23).
What are the key properties of N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide?
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112987822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).