N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C20H17ClN2O3S — CID 46682677

IUPACN-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-13(22-20(25)18-7-4-12-27-18)19(24)23-14-8-10-15(11-9-14)26-17-6-3-2-5-16(17)21/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyCWJZQZYATABKBM-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.95
Rot. Bonds6

About N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46682677) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46682677
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-13(22-20(25)18-7-4-12-27-18)19(24)23-14-8-10-15(11-9-14)26-17-6-3-2-5-16(17)21/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyCWJZQZYATABKBM-UHFFFAOYSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 131921673
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46682677) is N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is CWJZQZYATABKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-13(22-20(25)18-7-4-12-27-18)19(24)23-14-8-10-15(11-9-14)26-17-6-3-2-5-16(17)21/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46682677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).