N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide

C24H25ClN2O3S — CID 55869328

IUPACN-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESCCCCOc1ccc(CCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-2-3-14-30-19-9-6-17(7-10-19)12-13-26-23(28)18-8-11-20(25)21(16-18)27-24(29)22-5-4-15-31-22/h4-11,15-16H,2-3,12-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyFEKCCNYLPIBRQS-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.81
Rot. Bonds10

About N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide

N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 55869328) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID55869328
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESCCCCOc1ccc(CCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-2-3-14-30-19-9-6-17(7-10-19)12-13-26-23(28)18-8-11-20(25)21(16-18)27-24(29)22-5-4-15-31-22/h4-11,15-16H,2-3,12-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyFEKCCNYLPIBRQS-UHFFFAOYSA-N
XLogP5.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.81
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-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55957894
N-[2-chloro-5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 60573563
N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30860283
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 56558502
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55720301
N-[2-chloro-5-[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60583690

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide (CID 55869328) is N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide is CCCCOc1ccc(CCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is FEKCCNYLPIBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-2-3-14-30-19-9-6-17(7-10-19)12-13-26-23(28)18-8-11-20(25)21(16-18)27-24(29)22-5-4-15-31-22/h4-11,15-16H,2-3,12-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 457.00 g/mol, XLogP of 5.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55869328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).