N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C23H23ClN2O3S — CID 55579282

IUPACN-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-14(2)29-18-9-6-16(7-10-18)15(3)25-22(27)17-8-11-19(24)20(13-17)26-23(28)21-5-4-12-30-21/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyJNGPFHHBCYHCIZ-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.93
Rot. Bonds7

About N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55579282) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55579282
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-14(2)29-18-9-6-16(7-10-18)15(3)25-22(27)17-8-11-19(24)20(13-17)26-23(28)21-5-4-12-30-21/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyJNGPFHHBCYHCIZ-UHFFFAOYSA-N
XLogP5.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
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4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
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CID 43005371
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CID 27700085
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
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N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55579282) is N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CC(C)Oc1ccc(C(C)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is JNGPFHHBCYHCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-14(2)29-18-9-6-16(7-10-18)15(3)25-22(27)17-8-11-19(24)20(13-17)26-23(28)21-5-4-12-30-21/h4-15H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 5.93, 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-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55579282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).