N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C20H19N3O3S — CID 78846484

IUPACN-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCCOc2ccccc2)s1
InChIInChI=1S/C20H19N3O3S/c24-19(21-13-14-26-16-9-5-2-6-10-16)17-11-12-18(27-17)23-20(25)22-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,21,24)(H2,22,23,25)
InChIKeyJNRPDSFTVKPQAT-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.20
Rot. Bonds7

About N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78846484) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78846484
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCCOc2ccccc2)s1
InChIInChI=1S/C20H19N3O3S/c24-19(21-13-14-26-16-9-5-2-6-10-16)17-11-12-18(27-17)23-20(25)22-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,21,24)(H2,22,23,25)
InChIKeyJNRPDSFTVKPQAT-UHFFFAOYSA-N
XLogP4.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78852434
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849577
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78846484) is N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCOc2ccccc2)s1.
What is the InChIKey of N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is JNRPDSFTVKPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(21-13-14-26-16-9-5-2-6-10-16)17-11-12-18(27-17)23-20(25)22-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,21,24)(H2,22,23,25).
What are the key properties of N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78846484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).