N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H19ClN2O3S — CID 27859245

IUPACN-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-4-2-5-16(12-14)27-10-9-23-20(25)15-7-8-17(22)18(13-15)24-21(26)19-6-3-11-28-19/h2-8,11-13H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeySOUWBQCPQPDCAU-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.77
Rot. Bonds7

About N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 27859245) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID27859245
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-4-2-5-16(12-14)27-10-9-23-20(25)15-7-8-17(22)18(13-15)24-21(26)19-6-3-11-28-19/h2-8,11-13H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeySOUWBQCPQPDCAU-UHFFFAOYSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.77
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-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 55869328
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42907184

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 27859245) is N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is Cc1cccc(OCCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SOUWBQCPQPDCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-4-2-5-16(12-14)27-10-9-23-20(25)15-7-8-17(22)18(13-15)24-21(26)19-6-3-11-28-19/h2-8,11-13H,9-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 414.91 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27859245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).