N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide

C20H17ClN2O3S — CID 55455576

IUPACN-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCOc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C20H17ClN2O3S/c21-15-5-7-16(8-6-15)26-11-10-22-20(25)17-3-1-2-4-18(17)23-19(24)14-9-12-27-13-14/h1-9,12-13H,10-11H2,(H,22,25)(H,23,24)
InChIKeyFDWSMXFVPIEIBX-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.46
Rot. Bonds7

About N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55455576) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55455576
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCOc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C20H17ClN2O3S/c21-15-5-7-16(8-6-15)26-11-10-22-20(25)17-3-1-2-4-18(17)23-19(24)14-9-12-27-13-14/h1-9,12-13H,10-11H2,(H,22,25)(H,23,24)
InChIKeyFDWSMXFVPIEIBX-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 86898727
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 2298863
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
CID 71969648
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 17464042
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 55599946

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide (CID 55455576) is N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NCCOc1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is FDWSMXFVPIEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-15-5-7-16(8-6-15)26-11-10-22-20(25)17-3-1-2-4-18(17)23-19(24)14-9-12-27-13-14/h1-9,12-13H,10-11H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55455576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).